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Summary Geometry Related PDB entries

JUL

Summary

Name:	7-methoxy-4-[2-(morpholin-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3,4-dihydroquinoxalin-2(1H)-one
Formula:	C20 H23 N5 O3
Formal charge:	0
Formula weight:	381.428 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	7-methoxy-4-[2-(morpholin-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3,4-dihydroquinoxalin-2(1H)-one
OpenEye OEToolkits	2.0.7	7-methoxy-4-(2-morpholin-4-yl-6,7-dihydro-5~{H}-cyclopenta[d]pyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	COc1cc2NC(=O)CN(c3nc(nc4CCCc34)N3CCOCC3)c2cc1
InChI	InChI	1.03	InChI=1S/C20H23N5O3/c1-27-13-5-6-17-16(11-13)21-18(26)12-25(17)19-14-3-2-4-15(14)22-20(23-19)24-7-9-28-10-8-24/h5-6,11H,2-4,7-10,12H2,1H3,(H,21,26)
InChIKey	InChI	1.03	YWUHOQHUHVSXGB-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1ccc2N(CC(=O)Nc2c1)c3nc(nc4CCCc34)N5CCOCC5
SMILES	CACTVS	3.385	COc1ccc2N(CC(=O)Nc2c1)c3nc(nc4CCCc34)N5CCOCC5
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	COc1ccc2c(c1)NC(=O)CN2c3c4c(nc(n3)N5CCOCC5)CCC4
SMILES	OpenEye OEToolkits	2.0.7	COc1ccc2c(c1)NC(=O)CN2c3c4c(nc(n3)N5CCOCC5)CCC4

222415

數據於2024-07-10公開中

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