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Summary Geometry Related PDB entries

JVR

Summary

Name:	4-[2-(cyclopropylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one
Formula:	C19 H21 N5 O2
Formal charge:	0
Formula weight:	351.402 Da
Component type:	non-polymer

Chemical Identifiers

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

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	COc1ccc2c(NC(=O)CN2c2nc(NC3CC3)nc3CCCc32)c1
InChI	InChI	1.03	InChI=1S/C19H21N5O2/c1-26-12-7-8-16-15(9-12)21-17(25)10-24(16)18-13-3-2-4-14(13)22-19(23-18)20-11-5-6-11/h7-9,11H,2-6,10H2,1H3,(H,21,25)(H,20,22,23)
InChIKey	InChI	1.03	PQVFTRMKRDTVIW-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1ccc2N(CC(=O)Nc2c1)c3nc(NC4CC4)nc5CCCc35
SMILES	CACTVS	3.385	COc1ccc2N(CC(=O)Nc2c1)c3nc(NC4CC4)nc5CCCc35
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	COc1ccc2c(c1)NC(=O)CN2c3c4c(nc(n3)NC5CC5)CCC4
SMILES	OpenEye OEToolkits	2.0.7	COc1ccc2c(c1)NC(=O)CN2c3c4c(nc(n3)NC5CC5)CCC4

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