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Summary Geometry Related PDB entries

R64

Summary

Name:	(1-METHYL-1H-IMIDAZOL-2-YL)-(3-METHYL-4-{3-[(PYRIDIN-3-YLMETHYL)-AMINO]-PROPOXY}-BENZOFURAN-2-YL)-METHANONE
Formula:	C23 H24 N4 O3
Formal charge:	0
Formula weight:	404.462 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	(1-methyl-1H-imidazol-2-yl)(3-methyl-4-{3-[(pyridin-3-ylmethyl)amino]propoxy}-1-benzofuran-2-yl)methanone
OpenEye OEToolkits	1.5.0	(1-methylimidazol-2-yl)-[3-methyl-4-[3-(pyridin-3-ylmethylamino)propoxy]-1-benzofuran-2-yl]methanone

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(c1nccn1C)c4oc3cccc(OCCCNCc2cccnc2)c3c4C
SMILES_CANONICAL	CACTVS	3.341	Cn1ccnc1C(=O)c2oc3cccc(OCCCNCc4cccnc4)c3c2C
SMILES	CACTVS	3.341	Cn1ccnc1C(=O)c2oc3cccc(OCCCNCc4cccnc4)c3c2C
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	Cc1c2c(cccc2OCCCNCc3cccnc3)oc1C(=O)c4nccn4C
SMILES	OpenEye OEToolkits	1.5.0	Cc1c2c(cccc2OCCCNCc3cccnc3)oc1C(=O)c4nccn4C
InChI	InChI	1.03	InChI=1S/C23H24N4O3/c1-16-20-18(29-13-5-10-25-15-17-6-4-9-24-14-17)7-3-8-19(20)30-22(16)21(28)23-26-11-12-27(23)2/h3-4,6-9,11-12,14,25H,5,10,13,15H2,1-2H3
InChIKey	InChI	1.03	VZBQJKIOAOUYJL-UHFFFAOYSA-N

247947

PDB entries from 2026-01-21

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