6437380 -OEChem-10051720503D 67 70 0 1 0 0 0 0 0999 V2000 -1.7627 3.7440 1.3625 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.4991 -6.1170 -1.3275 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -7.7872 2.9679 0.2512 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.5439 1.0000 1.9868 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2202 0.7374 -0.1250 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7930 0.5702 -0.3899 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0114 0.2345 0.8967 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5554 0.5199 0.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3773 -0.4201 0.3552 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8634 -0.5638 0.0576 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8605 1.4746 -1.2142 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7469 -0.0723 0.2553 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1985 -1.8175 -0.0258 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4425 -1.2943 -0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4517 -2.3792 -0.3732 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1559 -0.4093 0.8573 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5553 2.9669 -1.0963 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1087 1.8081 1.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1953 1.2015 0.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8341 -1.7618 1.0782 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2336 3.7596 -2.2141 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2519 2.1450 0.9726 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9532 -2.5869 -0.0825 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5680 -3.6984 -0.7759 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7570 -1.4015 -0.4281 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8421 -3.9201 -0.4886 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4050 -4.4696 -0.8316 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1396 -1.6125 1.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9059 5.2416 -2.1246 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7491 -0.3263 -0.2609 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4049 -0.1659 0.9598 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0330 0.5320 -1.3231 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3446 0.8524 1.1181 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9728 1.5504 -1.1648 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6286 1.7107 0.0557 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3707 1.5015 -0.7816 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6018 -0.1799 -1.1689 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1780 -0.7772 1.2502 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2232 -1.2476 0.6258 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0539 -1.0548 -0.9061 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9504 1.3690 -1.1853 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5438 1.0905 -2.1933 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9359 0.0481 1.8306 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8640 0.2533 0.3485 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9064 3.3388 -0.1249 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4806 3.1688 -1.1424 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8116 2.5798 1.3822 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2273 1.5073 0.5007 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0380 -2.2384 0.1122 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1649 -2.4284 1.6345 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9088 3.3801 -3.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3204 3.6272 -2.1592 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9516 -2.2373 0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5319 -4.1208 -1.0406 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4960 0.8120 2.0433 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1844 -2.3433 -0.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7425 -4.5281 -0.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8457 -0.9805 1.2951 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6055 -2.5916 1.9921 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9685 -1.1643 2.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8282 5.4118 -2.2141 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 5.7892 -2.9308 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2423 5.6607 -1.1709 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1937 -0.8270 1.7968 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5298 0.4195 -2.2804 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8475 0.9660 2.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1835 2.2120 -2.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 27 1 0 0 0 0 3 35 1 0 0 0 0 4 7 1 0 0 0 0 4 55 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 18 2 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 16 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 17 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 13 15 2 0 0 0 0 13 23 1 0 0 0 0 14 15 1 0 0 0 0 14 25 2 0 0 0 0 15 24 1 0 0 0 0 16 20 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 21 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 22 1 0 0 0 0 18 47 1 0 0 0 0 19 22 2 0 0 0 0 19 48 1 0 0 0 0 20 28 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 29 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 23 26 2 0 0 0 0 23 53 1 0 0 0 0 24 27 2 0 0 0 0 24 54 1 0 0 0 0 25 30 1 0 0 0 0 25 56 1 0 0 0 0 26 27 1 0 0 0 0 26 57 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 29 61 1 0 0 0 0 29 62 1 0 0 0 0 29 63 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 31 33 1 0 0 0 0 31 64 1 0 0 0 0 32 34 2 0 0 0 0 32 65 1 0 0 0 0 33 35 2 0 0 0 0 33 66 1 0 0 0 0 34 35 1 0 0 0 0 34 67 1 0 0 0 0 M END > DB06708 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/DYLGFOYVTXJFJP-MYYYXRDXSA-N/SDF?record_type=3d > CCCCN(CCCC)CC(O)C1=C2C(=CC(Cl)=C1)\C(=C/C1=CC=C(Cl)C=C1)C1=C2C=CC(Cl)=C1 > InChI=1S/C30H32Cl3NO/c1-3-5-13-34(14-6-4-2)19-29(35)28-18-23(33)17-27-25(15-20-7-9-21(31)10-8-20)26-16-22(32)11-12-24(26)30(27)28/h7-12,15-18,29,35H,3-6,13-14,19H2,1-2H3/b25-15- > DYLGFOYVTXJFJP-MYYYXRDXSA-N > C30H32Cl3NO > 528.94 > 527.154947772 > 2 > 67 > 0.9983517580934285 > 60.69156077372504 > 0 > 1 > 0 > 0 > 2-(dibutylamino)-1-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]-9H-fluoren-4-yl]ethan-1-ol > 8.34 > 9.191258858333333 > -7.23 > 1 > 1 > 4 > 1 > 14.10168381554502 > 9.782283537249677 > 23.47 > 160.8105 > 10 > 0 > 3.09e-05 g/l > biotin > 1 $$$$