11289 -OEChem-10051719113D 48 50 0 0 0 0 0 0 0999 V2000 0.8210 -3.0863 0.1910 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.3727 -0.4337 0.4014 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0293 4.4658 -0.4109 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5262 -1.8532 -0.3399 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7805 -0.3643 0.0282 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2316 -0.3820 0.1257 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0296 0.9272 -0.0898 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0561 -1.5272 0.0434 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4107 -1.6125 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8482 -0.3269 1.3755 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2181 1.4274 -1.3444 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0066 -0.4542 -1.0318 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3777 1.5529 1.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2398 -0.3442 1.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9173 2.6295 -1.4533 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3983 -0.4715 -0.9395 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0770 2.7549 0.9542 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0006 -1.7219 -1.3069 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1733 -1.5821 1.0988 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0150 -0.4166 0.3105 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3468 3.2933 -0.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3899 -1.8029 -1.4019 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5626 -1.6633 1.0039 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1709 -1.7737 -0.2466 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1047 -0.5088 -0.8212 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4392 5.0919 0.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2646 -1.8176 0.8807 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2591 -0.2717 2.2878 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1117 0.9178 -2.2449 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5410 -0.4990 -2.0137 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1721 1.1405 2.0465 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7145 -0.3015 2.4445 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1248 3.0438 -2.4361 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9394 -0.5291 -1.8778 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3814 3.2173 1.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4035 -1.7464 -2.2148 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7106 -1.4970 2.0787 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8580 -1.8887 -2.3787 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1086 -1.6347 1.9406 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9316 0.3723 -1.4484 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9027 -1.4440 -1.3543 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1683 -0.5123 -0.5614 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5791 5.3862 1.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9674 6.0114 0.5315 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1483 4.4680 1.3587 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0316 -2.6780 1.5171 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3253 -1.8914 0.6191 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1299 -0.8652 1.4046 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 2 20 1 0 0 0 0 2 25 1 0 0 0 0 3 21 1 0 0 0 0 3 26 1 0 0 0 0 4 24 1 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 2 0 0 0 0 6 10 2 0 0 0 0 6 12 1 0 0 0 0 7 11 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 9 18 2 0 0 0 0 9 19 1 0 0 0 0 10 14 1 0 0 0 0 10 28 1 0 0 0 0 11 15 1 0 0 0 0 11 29 1 0 0 0 0 12 16 2 0 0 0 0 12 30 1 0 0 0 0 13 17 2 0 0 0 0 13 31 1 0 0 0 0 14 20 2 0 0 0 0 14 32 1 0 0 0 0 15 21 2 0 0 0 0 15 33 1 0 0 0 0 16 20 1 0 0 0 0 16 34 1 0 0 0 0 17 21 1 0 0 0 0 17 35 1 0 0 0 0 18 22 1 0 0 0 0 18 36 1 0 0 0 0 19 23 2 0 0 0 0 19 37 1 0 0 0 0 22 24 2 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 M END > DB00269 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/BFPSDSIWYFKGBC-UHFFFAOYSA-N/SDF?record_type=3d > COC1=CC=C(C=C1)C(Cl)=C(C1=CC=C(OC)C=C1)C1=CC=C(OC)C=C1 > InChI=1S/C23H21ClO3/c1-25-19-10-4-16(5-11-19)22(17-6-12-20(26-2)13-7-17)23(24)18-8-14-21(27-3)15-9-18/h4-15H,1-3H3 > BFPSDSIWYFKGBC-UHFFFAOYSA-N > C23H21ClO3 > 380.864 > 380.117922245 > 3 > 48 > 6.427131888935336e-12 > 40.679388818523236 > 1 > 0 > 0 > 1 > 1-[2-chloro-1,2-bis(4-methoxyphenyl)ethenyl]-4-methoxybenzene > 5.95 > 5.427334731 > -6.28 > 1 > 0 > 3 > 0 > -4.35168051124204 > 27.69 > 119.17130000000003 > 6 > 0 > 1.99e-04 g/l > biotin > 1 $$$$