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Summary Geometry Related PDB entries

P5V

Summary

Name:	(3S)-1'-(cyclopropanecarbonyl)-5-(quinoxalin-6-yl)spiro[indole-3,2'-pyrrolidin]-2(1H)-one
Formula:	C23 H20 N4 O2
Formal charge:	0
Formula weight:	384.431 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(3S)-1'-(cyclopropanecarbonyl)-5-(quinoxalin-6-yl)spiro[indole-3,2'-pyrrolidin]-2(1H)-one
OpenEye OEToolkits	2.0.7	(3~{S})-1'-cyclopropylcarbonyl-5-quinoxalin-6-yl-spiro[1~{H}-indole-3,2'-pyrrolidine]-2-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C2(=O)Nc1ccc(cc1C24CCCN4C(=O)C3CC3)c5cc6c(cc5)nccn6
InChI	InChI	1.03	InChI=1S/C23H20N4O2/c28-21(14-2-3-14)27-11-1-8-23(27)17-12-15(4-6-18(17)26-22(23)29)16-5-7-19-20(13-16)25-10-9-24-19/h4-7,9-10,12-14H,1-3,8,11H2,(H,26,29)/t23-/m0/s1
InChIKey	InChI	1.03	PXPGVPPGCPSCSN-QHCPKHFHSA-N
SMILES_CANONICAL	CACTVS	3.385	O=C1Nc2ccc(cc2[C@@]13CCCN3C(=O)C4CC4)c5ccc6nccnc6c5
SMILES	CACTVS	3.385	O=C1Nc2ccc(cc2[C]13CCCN3C(=O)C4CC4)c5ccc6nccnc6c5
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc2c(cc1c3ccc4c(c3)[C@@]5(CCCN5C(=O)C6CC6)C(=O)N4)nccn2
SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(cc1c3ccc4c(c3)C5(CCCN5C(=O)C6CC6)C(=O)N4)nccn2

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