PDB CCD ID: | 826 |
Number of entries in BioLiP: | 2 |
Chemical formula: | C25 H22 N2 O3 |
InChI: | InChI=1S/C25H22N2O3/c28-19-9-5-17(6-10-19)15-27-23-4-2-1-3-21(23)22-13-14-26(16-24(22)27)25(30)18-7-11-20(29)12-8-18/h1-12,28-29H,13-16H2 |
InChIKey: | ADXYEWMDAGIULV-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
---|
ACDLabs 10.04 | O=C(N3CCc2c1c(cccc1)n(c2C3)Cc4ccc(O)cc4)c5ccc(O)cc5 | OpenEye OEToolkits 1.5.0 | c1ccc2c(c1)c3c(n2Cc4ccc(cc4)O)CN(CC3)C(=O)c5ccc(cc5)O | CACTVS 3.341 | Oc1ccc(Cn2c3CN(CCc3c4ccccc24)C(=O)c5ccc(O)cc5)cc1 |
|
Name: | 1,3,4,9-TETRAHYDRO-2-(HYDROXYBENZOYL)-9-[(4-HYDROXYPHENYL)METHYL]-6-METHOXY-2H-PYRIDO[3,4-B]INDOLE |
ChEMBL: | CHEMBL72232 |
DrugBank: | DB04030 |
ZINC: | ZINC000006393401 |