PDB CCD ID: | DGW |
Number of entries in BioLiP: | 2 |
Chemical formula: | C24 H29 Cl2 N O |
InChI: | InChI=1S/C24H29Cl2NO/c1-16-4-2-5-20-19(16)9-8-17(14-23(20)28)15-27-12-10-18(11-13-27)24-21(25)6-3-7-22(24)26/h2-7,17-18,23,28H,8-15H2,1H3/t17-,23-/m0/s1 |
InChIKey: | OHRDCQFCAWLDBP-SBUREZEXSA-N |
SMILES: | Software | SMILES |
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CACTVS 3.385 | Cc1cccc2[C@@H](O)C[C@H](CCc12)CN3CC[C@@H](CC3)c4c(Cl)cccc4Cl | OpenEye OEToolkits 1.9.2 | Cc1cccc2c1CC[C@@H](C[C@@H]2O)CN3CCC(CC3)c4c(cccc4Cl)Cl | CACTVS 3.385 | Cc1cccc2[CH](O)C[CH](CCc12)CN3CC[CH](CC3)c4c(Cl)cccc4Cl | ACDLabs 12.01 | Clc1cccc(Cl)c1C2CCN(CC2)CC4CC(O)c3cccc(c3CC4)C | OpenEye OEToolkits 1.9.2 | Cc1cccc2c1CCC(CC2O)CN3CCC(CC3)c4c(cccc4Cl)Cl |
|
Name: | (5S,7S)-7-{[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl}-1-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol |
ChEMBL: | CHEMBL559569 |
ZINC: | ZINC000003964905 |