PDB CCD ID: | BZT |
Number of entries in BioLiP: | 1 |
Chemical formula: | C32 H35 Br N2 O2 S |
InChI: | InChI=1S/C32H35BrN2O2S/c33-30-20-23(5-6-25(30)22-35-15-3-4-16-35)19-29-28-12-9-26(36)21-31(28)38-32(29)24-7-10-27(11-8-24)37-18-17-34-13-1-2-14-34/h5-12,20-21,36H,1-4,13-19,22H2 |
InChIKey: | QVDZMCVSIVITGR-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
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CACTVS 3.341 | Oc1ccc2c(Cc3ccc(CN4CCCC4)c(Br)c3)c(sc2c1)c5ccc(OCCN6CCCC6)cc5 | OpenEye OEToolkits 1.5.0 | c1cc(ccc1c2c(c3ccc(cc3s2)O)Cc4ccc(c(c4)Br)CN5CCCC5)OCCN6CCCC6 | ACDLabs 10.04 | Brc1c(ccc(c1)Cc2c5ccc(O)cc5sc2c4ccc(OCCN3CCCC3)cc4)CN6CCCC6 |
|
Name: | 3-(3-BROMO-4-PYRROLIDIN-1-YLMETHYL-BENZYL)-2-[4-PYRROLIDIN-1-YL-ETHOXY)-PHENYL]-BENZO[B]THIOPHEN-6-OL |
ChEMBL: | CHEMBL275206 |
ZINC: | ZINC000003834110 |