English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

Summary Geometry Related PDB entries

29S

Summary

Name:	Bazedoxifene
Synonyms:	1-{4-[2-(azepan-1-yl)ethoxy]benzyl}-2-(4-hydroxyphenyl)-3-methyl-1H-indol-5-ol
Formula:	C30 H34 N2 O3
Formal charge:	0
Formula weight:	470.603 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	1-{4-[2-(azepan-1-yl)ethoxy]benzyl}-2-(4-hydroxyphenyl)-3-methyl-1H-indol-5-ol
OpenEye OEToolkits	1.7.6	1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methyl-indol-5-ol

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Oc1ccc(cc1)c3c(c2cc(O)ccc2n3Cc5ccc(OCCN4CCCCCC4)cc5)C
InChI	InChI	1.03	InChI=1S/C30H34N2O3/c1-22-28-20-26(34)12-15-29(28)32(30(22)24-8-10-25(33)11-9-24)21-23-6-13-27(14-7-23)35-19-18-31-16-4-2-3-5-17-31/h6-15,20,33-34H,2-5,16-19,21H2,1H3
InChIKey	InChI	1.03	UCJGJABZCDBEDK-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1c2cc(O)ccc2n(Cc3ccc(OCCN4CCCCCC4)cc3)c1c5ccc(O)cc5
SMILES	CACTVS	3.385	Cc1c2cc(O)ccc2n(Cc3ccc(OCCN4CCCCCC4)cc3)c1c5ccc(O)cc5
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	Cc1c2cc(ccc2n(c1c3ccc(cc3)O)Cc4ccc(cc4)OCCN5CCCCCC5)O
SMILES	OpenEye OEToolkits	1.7.6	Cc1c2cc(ccc2n(c1c3ccc(cc3)O)Cc4ccc(cc4)OCCN5CCCCCC5)O

222415

PDB entries from 2024-07-10

PDB statistics

PDBj update info

Contact PDBj

numon