Mrv2304 09272321252D 112117 0 0 0 0 999 V2000 -4.8204 6.0878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6454 6.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0579 6.8022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0579 5.3733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8829 5.3733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2954 4.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8829 3.9443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1204 4.6588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2473 6.0878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5776 6.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9901 6.8022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9901 5.3733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8151 5.3733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2276 4.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8151 3.9443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0526 4.6588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3152 6.0878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4902 6.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0777 6.8022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0777 5.3733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2527 5.3733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8402 4.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2527 3.9443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0152 4.6588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4720 2.2943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8845 1.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4720 0.8654 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6470 0.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2345 0.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2345 1.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8845 0.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4720 -0.5635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7095 0.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1220 0.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9470 0.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3595 1.5799 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -10.3595 0.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9470 -0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1220 -0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7095 -1.2780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1220 -1.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7095 -2.7069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1220 -3.4213 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.9470 -3.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3595 -2.7069 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.9470 -1.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8845 -2.7069 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.3012 -2.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7178 -2.7069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3012 -3.2903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3053 -1.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4803 -1.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0678 -2.7069 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2428 -2.7069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8303 -3.4213 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0053 -3.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5928 -4.1358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0053 -4.8503 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8303 -4.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2428 -4.1358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5928 -5.5647 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7678 -5.5647 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7678 -4.7397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9428 -5.5647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7678 -6.3897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4823 -6.8022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4803 -3.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3053 -3.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8303 2.2943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4178 1.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8303 0.8654 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6553 0.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0678 0.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0678 1.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4178 0.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8303 -0.5635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5928 0.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1803 0.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3553 0.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9428 1.5799 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.9428 0.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3553 -0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1803 -0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5928 -1.2780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1803 -1.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5928 -2.7069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1803 -3.4213 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3553 -3.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9428 -2.7069 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3553 -1.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4178 -2.7069 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0012 -2.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5845 -2.7069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0012 -3.2903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9970 -1.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8220 -1.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2345 -2.7069 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0595 -2.7069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4720 -3.4213 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2970 -3.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7095 -4.1358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2970 -4.8503 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4720 -4.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0595 -4.1358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7095 -5.5647 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5345 -5.5647 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.5345 -4.7397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3595 -5.5647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5345 -6.3897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8201 -6.8022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8220 -3.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9970 -3.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 27 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 33 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 41 46 1 0 0 0 0 42 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 47 50 1 0 0 0 0 49 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 55 54 1 1 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 58 57 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 55 60 1 0 0 0 0 58 61 1 6 0 0 0 61 62 1 0 0 0 0 62 63 2 0 0 0 0 62 64 2 0 0 0 0 62 65 1 0 0 0 0 65 66 1 0 0 0 0 53 67 1 0 0 0 0 67 68 1 0 0 0 0 49 68 1 0 0 0 0 69 70 1 0 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 72 73 1 0 0 0 0 72 74 1 0 0 0 0 71 75 1 0 0 0 0 75 76 2 0 0 0 0 75 77 1 0 0 0 0 77 78 2 0 0 0 0 78 79 1 0 0 0 0 79 80 1 0 0 0 0 79 81 2 0 0 0 0 81 82 1 0 0 0 0 82 83 2 0 0 0 0 77 83 1 0 0 0 0 83 84 1 0 0 0 0 84 85 1 0 0 0 0 85 86 2 0 0 0 0 86 87 1 0 0 0 0 87 88 2 0 0 0 0 88 89 1 0 0 0 0 89 90 2 0 0 0 0 85 90 1 0 0 0 0 86 91 1 0 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 93 94 1 0 0 0 0 91 94 1 0 0 0 0 93 95 1 0 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 97 98 1 0 0 0 0 99 98 1 1 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 102101 1 0 0 0 0 102103 1 0 0 0 0 103104 1 0 0 0 0 99104 1 0 0 0 0 102105 1 6 0 0 0 105106 1 0 0 0 0 106107 2 0 0 0 0 106108 2 0 0 0 0 106109 1 0 0 0 0 109110 1 0 0 0 0 97111 1 0 0 0 0 111112 1 0 0 0 0 93112 1 0 0 0 0 M END > DBSALT003460 > drugbank > OC(=O)\C=C\C(O)=O.OC(=O)\C=C\C(O)=O.OC(=O)\C=C\C(O)=O.CCN(C(C)C)C(=O)C1=CC(F)=CC=C1OC1=C(N=CN=C1)N1CC2(C1)CCN(C[C@H]1CC[C@@H](CC1)NS(=O)(=O)CC)CC2.CCN(C(C)C)C(=O)C1=CC(F)=CC=C1OC1=C(N=CN=C1)N1CC2(C1)CCN(C[C@H]1CC[C@@H](CC1)NS(=O)(=O)CC)CC2 > InChI=1S/2C32H47FN6O4S.3C4H4O4/c2*1-5-39(23(3)4)31(40)27-17-25(33)9-12-28(27)43-29-18-34-22-35-30(29)38-20-32(21-38)13-15-37(16-14-32)19-24-7-10-26(11-8-24)36-44(41,42)6-2;3*5-3(6)1-2-4(7)8/h2*9,12,17-18,22-24,26,36H,5-8,10-11,13-16,19-21H2,1-4H3;3*1-2H,(H,5,6)(H,7,8)/b;;3*2-1+/t2*24-,26-;;; > AXNUWYROYVRYIM-OQIJCFCCSA-N > C76H106F2N12O20S2 > 1609.86 > 1608.705582535 > 7 > 218 > 2.8145572841455446 > 69.55042554632203 > 0 > 1 > 0 > 0 > tris((2E)-but-2-enedioic acid); bis(N-ethyl-5-fluoro-N-(propan-2-yl)-2-{[4-(7-{[(1r,4r)-4-ethanesulfonamidocyclohexyl]methyl}-2,7-diazaspiro[3.5]nonan-2-yl)pyrimidin-5-yl]oxy}benzamide) > 3.3701884933333326 > 1 > 1 > 10 > 1 > 11.810824092551416 > 9.348380259966476 > 107.97 > 171.87919999999997 > 26 > 0 > bis(N-ethyl-5-fluoro-N-isopropyl-2-{[4-(7-{[(1r,4r)-4-ethanesulfonamidocyclohexyl]methyl}-2,7-diazaspiro[3.5]nonan-2-yl)pyrimidin-5-yl]oxy}benzamide); tris(fumaric acid) > 0 > DBSALT003460 > Revumenib sesquifumarate > DB18515 > Revumenib > 2169919-22-4 > 75HI05N8HS $$$$