57164040 -OEChem-12221921553D 82 87 0 1 0 0 0 0 0999 V2000 -0.3667 2.4364 -0.1928 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2146 4.0612 -0.8904 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5149 1.1846 1.5249 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9729 6.7703 0.0710 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8184 1.2860 -1.5857 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9955 -2.8848 1.5360 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1245 0.2791 -1.4260 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3585 -3.7548 1.5997 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5296 -0.6023 -1.3503 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1208 -2.8974 -1.4465 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5823 6.3445 1.2779 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 -1.2403 0.1909 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0354 -1.3768 0.2975 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7152 0.2456 0.4758 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1101 1.2643 -0.9638 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3723 0.8862 -0.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8843 -1.0196 0.7116 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0336 0.1764 -0.4747 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5730 -0.8753 0.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1424 3.6182 -0.9562 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1040 4.7167 -0.4985 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7190 5.2293 0.8940 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7600 5.6400 0.9183 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6293 4.4770 0.4176 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1769 -0.0972 0.5252 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3969 0.2406 -0.8108 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4780 -1.8567 0.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2927 -0.7361 -0.3608 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8328 -1.7860 0.4301 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1044 4.8532 0.3258 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1159 0.9818 1.0057 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7204 -0.6438 -0.7296 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7641 -2.8279 0.9096 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6541 -1.6807 -0.2453 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1926 -2.7350 0.5455 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0104 -1.6027 -0.5829 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0874 -3.7117 0.9986 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8989 -2.5779 -0.1288 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4383 -3.6299 0.6602 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6780 -2.2378 -0.5727 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1535 -2.3286 -0.4203 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9964 0.5597 -0.6685 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8237 -3.4926 -0.7964 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8684 -1.2487 0.0978 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2089 -3.5768 -0.6545 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2534 -1.3327 0.2397 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9237 -2.4969 -0.1365 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3336 1.4263 -2.0271 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0080 1.7598 -1.0427 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6078 0.1708 -1.6715 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9580 -1.3008 1.7703 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2703 -1.8568 0.1158 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3663 3.4427 -2.0152 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1299 4.3283 -0.4794 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0769 5.5430 -1.2201 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8688 4.4210 1.6212 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 5.9291 1.9318 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5349 3.6328 1.1061 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6232 0.7253 2.3752 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2674 5.6697 -0.3858 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6926 4.0084 -0.0464 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4984 5.1527 1.3015 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9740 1.0922 0.3355 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6331 1.9600 1.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4535 0.7546 2.0213 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3490 6.6492 2.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5526 6.0340 1.3057 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8915 6.4807 -0.8531 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7844 1.3556 -1.5793 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6374 -3.6079 1.5897 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7533 -4.5419 1.6151 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5139 -0.8588 1.0242 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9535 -2.5258 -0.3867 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1321 -4.3880 1.0122 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1501 1.3519 -1.4063 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2741 0.9089 0.0765 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9530 0.3449 -0.1821 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2835 -4.3458 -1.1981 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3900 -0.3140 0.3745 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7308 -4.4833 -0.9468 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8115 -0.4897 0.6365 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0023 -2.5618 -0.0273 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 20 1 0 0 0 0 2 20 1 0 0 0 0 2 24 1 0 0 0 0 3 14 1 0 0 0 0 3 59 1 0 0 0 0 4 23 1 0 0 0 0 4 68 1 0 0 0 0 5 26 1 0 0 0 0 5 69 1 0 0 0 0 6 27 1 0 0 0 0 6 70 1 0 0 0 0 7 32 2 0 0 0 0 8 33 2 0 0 0 0 9 36 1 0 0 0 0 9 42 1 0 0 0 0 10 40 2 0 0 0 0 11 22 1 0 0 0 0 11 66 1 0 0 0 0 11 67 1 0 0 0 0 12 13 1 0 0 0 0 12 25 2 3 0 0 0 13 40 1 0 0 0 0 13 72 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 14 25 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 15 48 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 19 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 19 2 0 0 0 0 18 26 1 0 0 0 0 19 27 1 0 0 0 0 20 21 1 0 0 0 0 20 53 1 0 0 0 0 21 22 1 0 0 0 0 21 54 1 0 0 0 0 21 55 1 0 0 0 0 22 23 1 0 0 0 0 22 56 1 0 0 0 0 23 24 1 0 0 0 0 23 57 1 0 0 0 0 24 30 1 0 0 0 0 24 58 1 0 0 0 0 25 31 1 0 0 0 0 26 28 2 0 0 0 0 27 29 2 0 0 0 0 28 29 1 0 0 0 0 28 32 1 0 0 0 0 29 33 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 30 62 1 0 0 0 0 31 63 1 0 0 0 0 31 64 1 0 0 0 0 31 65 1 0 0 0 0 32 34 1 0 0 0 0 33 35 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 35 37 1 0 0 0 0 36 38 2 0 0 0 0 37 39 2 0 0 0 0 37 71 1 0 0 0 0 38 39 1 0 0 0 0 38 73 1 0 0 0 0 39 74 1 0 0 0 0 40 41 1 0 0 0 0 41 43 2 0 0 0 0 41 44 1 0 0 0 0 42 75 1 0 0 0 0 42 76 1 0 0 0 0 42 77 1 0 0 0 0 43 45 1 0 0 0 0 43 78 1 0 0 0 0 44 46 2 0 0 0 0 44 79 1 0 0 0 0 45 47 2 0 0 0 0 45 80 1 0 0 0 0 46 47 1 0 0 0 0 46 81 1 0 0 0 0 47 82 1 0 0 0 0 M END > DB11618 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FBTUMDXHSRTGRV-BJISBDEGSA-N/SDF?record_type=3d > [H][C@@]1(C[C@@](O)(CC2=C(O)C3=C(C(O)=C12)C(=O)C1=C(C=CC=C1OC)C3=O)C(C)=NNC(=O)C1=CC=CC=C1)O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 > InChI=1S/C34H35N3O10/c1-15-28(38)20(35)12-23(46-15)47-22-14-34(44,16(2)36-37-33(43)17-8-5-4-6-9-17)13-19-25(22)32(42)27-26(30(19)40)29(39)18-10-7-11-21(45-3)24(18)31(27)41/h4-11,15,20,22-23,28,38,40,42,44H,12-14,35H2,1-3H3,(H,37,43)/t15-,20-,22-,23-,28+,34-/m0/s1 > FBTUMDXHSRTGRV-BJISBDEGSA-N > C34H35N3O10 > 645.665 > 645.232244339 > 12 > 82 > 0.9362814804085954 > 65.84000585666449 > 0 > 6 > 0 > 0 > N'-{1-[(2S,4S)-4-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-2-yl]ethylidene}benzohydrazide > 2.01 > 2.6598447192653936 > -4.04 > 1 > 1 > 6 > 1 > 10.10941799316731 > 8.203558806950095 > 9.487492205840308 > 210.23 > 168.48499999999987 > 6 > 0 > 5.83e-02 g/l > N''-({4-[(4R)-4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl]phenyl}methyl)guanidine > 0 $$$$