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Summary Geometry Related PDB entries

A1CP3

Summary

Name:	[(3S)-3-(1H-1,3-benzimidazol-1-yl)pyrrolidin-1-yl](6-methoxy-1H-indol-2-yl)methanone
Formula:	C21 H20 N4 O2
Formal charge:	0
Formula weight:	360.409 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	14.52	[(3S)-3-(1H-1,3-benzimidazol-1-yl)pyrrolidin-1-yl](6-methoxy-1H-indol-2-yl)methanone
OpenEye OEToolkits	3.1.0.0	[(3~{S})-3-(benzimidazol-1-yl)pyrrolidin-1-yl]-(6-methoxy-1~{H}-indol-2-yl)methanone

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	O=C(c1cc2ccc(OC)cc2[NH]1)N1CCC(C1)n1cnc2ccccc12
InChI	InChI	1.06	InChI=1S/C21H20N4O2/c1-27-16-7-6-14-10-19(23-18(14)11-16)21(26)24-9-8-15(12-24)25-13-22-17-4-2-3-5-20(17)25/h2-7,10-11,13,15,23H,8-9,12H2,1H3/t15-/m0/s1
InChIKey	InChI	1.06	FIUWWDOUHZUAFH-HNNXBMFYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1ccc2cc([nH]c2c1)C(=O)N3CC[C@@H](C3)n4cnc5ccccc45
SMILES	CACTVS	3.385	COc1ccc2cc([nH]c2c1)C(=O)N3CC[CH](C3)n4cnc5ccccc45
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	COc1ccc2cc([nH]c2c1)C(=O)N3CC[C@@H](C3)n4cnc5c4cccc5
SMILES	OpenEye OEToolkits	3.1.0.0	COc1ccc2cc([nH]c2c1)C(=O)N3CCC(C3)n4cnc5c4cccc5

253795

PDB entries from 2026-05-20

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