146430058 -OEChem-09272317183D 86 91 0 1 0 0 0 0 0999 V2000 5.2770 -0.5589 -4.4634 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.5592 0.8914 -2.0941 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8803 0.6776 0.3503 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9059 -0.7274 0.9233 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5651 2.1663 0.7667 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0619 1.3269 -0.3713 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5642 0.4490 -0.4187 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8741 4.0235 1.4070 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2780 3.8549 1.4218 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3635 -2.4672 0.6817 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2797 1.3337 0.3652 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7514 2.6908 0.8982 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1609 0.8134 0.5884 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7072 1.3363 -1.1096 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3273 0.6460 1.2456 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0879 1.9721 -1.2556 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6917 1.3042 1.0502 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2033 0.1761 0.0704 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.9316 -1.3337 0.2015 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.3626 -0.7938 -0.4545 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.2842 -2.0563 -1.1136 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2524 0.8289 -0.9007 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7309 -1.7203 -1.5112 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3346 -1.4805 0.9308 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9013 -1.8338 1.2561 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8237 2.7413 0.9903 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5382 -2.5087 2.3538 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9413 1.9622 0.7701 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1539 2.5778 1.0047 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1149 4.5098 1.6003 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4934 0.3553 -0.8533 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5203 -0.5873 -0.9049 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0691 0.9890 -2.0212 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9783 -1.2610 0.3021 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1228 -0.8962 -2.1244 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6716 0.6802 -3.2406 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6985 -0.2624 -3.2922 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2664 -3.1006 -0.0467 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8151 -3.1680 1.8758 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6847 -4.4746 -0.5546 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0281 -3.1918 0.8357 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6097 -2.2985 3.1094 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2731 -3.5858 1.7312 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9271 3.5645 0.2649 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9948 2.9275 1.9389 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3189 0.2120 1.4895 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5823 0.3102 -0.2841 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7436 0.3039 -1.4804 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9847 1.8768 -1.7327 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0452 0.6913 2.3042 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3930 -0.4157 0.9754 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0581 3.0326 -0.9799 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4107 1.9149 -2.2999 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3999 0.7715 1.6806 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6703 2.3463 1.3899 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1642 0.6651 1.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8894 -1.5342 0.4734 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3931 -0.5552 -0.7384 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5963 -1.7694 -1.9168 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1775 -3.1421 -0.9937 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7446 -1.2429 -2.4989 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3150 -2.6441 -1.6017 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0164 1.1281 0.1935 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9500 -2.3874 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7418 -0.8069 1.6943 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4975 -2.7412 2.5514 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2768 -2.8406 3.0754 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0961 2.0565 0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1848 5.5375 1.9351 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2637 1.7183 -2.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9232 -1.6297 -2.1774 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3400 1.1716 -4.1505 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9965 -2.5017 -0.9197 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2359 -4.0824 2.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9048 -4.8915 -1.2017 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 -4.4068 -1.1465 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8562 -5.2001 0.2461 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7651 -2.2081 1.2403 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1727 -3.5465 0.2497 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -3.8795 1.6786 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8149 -2.8779 4.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5764 -1.9405 3.1727 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2657 -1.4240 3.1378 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5653 -4.2293 2.5688 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4308 -4.1532 0.8077 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9672 -2.7408 1.7241 H 0 0 0 0 0 0 0 0 0 0 0 0 1 37 1 0 0 0 0 2 22 2 0 0 0 0 3 28 1 0 0 0 0 3 31 1 0 0 0 0 4 34 2 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 26 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 6 22 1 0 0 0 0 7 18 1 0 0 0 0 7 20 1 0 0 0 0 7 63 1 0 0 0 0 8 26 2 0 0 0 0 8 30 1 0 0 0 0 9 29 1 0 0 0 0 9 30 2 0 0 0 0 10 34 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 14 16 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 17 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 52 1 0 0 0 0 16 53 1 0 0 0 0 17 54 1 0 0 0 0 17 55 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 18 56 1 0 0 0 0 19 21 1 0 0 0 0 19 25 1 0 0 0 0 19 57 1 0 0 0 0 20 23 1 0 0 0 0 20 24 1 0 0 0 0 20 58 1 0 0 0 0 21 23 1 0 0 0 0 21 59 1 0 0 0 0 21 60 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 24 25 1 0 0 0 0 24 64 1 0 0 0 0 24 65 1 0 0 0 0 25 27 2 0 0 0 0 26 28 1 0 0 0 0 27 66 1 0 0 0 0 27 67 1 0 0 0 0 28 29 2 0 0 0 0 29 68 1 0 0 0 0 30 69 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 32 34 1 0 0 0 0 32 35 1 0 0 0 0 33 36 2 0 0 0 0 33 70 1 0 0 0 0 35 37 2 0 0 0 0 35 71 1 0 0 0 0 36 37 1 0 0 0 0 36 72 1 0 0 0 0 38 40 1 0 0 0 0 38 41 1 0 0 0 0 38 73 1 0 0 0 0 39 42 1 0 0 0 0 39 43 1 0 0 0 0 39 74 1 0 0 0 0 40 75 1 0 0 0 0 40 76 1 0 0 0 0 40 77 1 0 0 0 0 41 78 1 0 0 0 0 41 79 1 0 0 0 0 41 80 1 0 0 0 0 42 81 1 0 0 0 0 42 82 1 0 0 0 0 42 83 1 0 0 0 0 43 84 1 0 0 0 0 43 85 1 0 0 0 0 43 86 1 0 0 0 0 M END > DB18514 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/JQHJEDMMWUIYCE-FVVBACEJSA-N/SDF?record_type=3d > CC(C)N(C(C)C)C(=O)C1=CC(F)=CC=C1OC1=CN=CN=C1N1CC2(C1)CCN(CC2)C(=O)[C@H]1N[C@H]2CC[C@@H]1C(=C)C2 > InChI=1S/C33H43FN6O3/c1-20(2)40(21(3)4)31(41)26-15-23(34)6-9-27(26)43-28-16-35-19-36-30(28)39-17-33(18-39)10-12-38(13-11-33)32(42)29-25-8-7-24(37-29)14-22(25)5/h6,9,15-16,19-21,24-25,29,37H,5,7-8,10-14,17-18H2,1-4H3/t24-,25-,29-/m0/s1 > JQHJEDMMWUIYCE-FVVBACEJSA-N > C33H43FN6O3 > 590.744 > 590.338067432 > 6 > 86 > 3.865820213163938 > 64.3410996483812 > 1 > 1 > 0 > 0 > 5-fluoro-2-[(4-{7-[(1S,3S,4R)-5-methylidene-2-azabicyclo[2.2.2]octane-3-carbonyl]-2,7-diazaspiro[3.5]nonan-2-yl}pyrimidin-5-yl)oxy]-N,N-bis(propan-2-yl)benzamide > 3.476014257666667 > 1 > 1 > 6 > 1 > 8.648260359015543 > 90.9 > 164.93889999999996 > 7 > 0 > 5-fluoro-N,N-diisopropyl-2-[(4-{7-[(1S,3S,4R)-5-methylidene-2-azabicyclo[2.2.2]octane-3-carbonyl]-2,7-diazaspiro[3.5]nonan-2-yl}pyrimidin-5-yl)oxy]benzamide > 0 $$$$