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Summary Geometry Related PDB entries

A1BLV

Summary

Name:	(1R)-1-({(6M)-2-(methylamino)-6-[3-(pyrrolidin-1-yl)phenyl]pyrimidin-4-yl}amino)-2,3-dihydro-1H-indene-4-carbonitrile
Formula:	C25 H26 N6
Formal charge:	0
Formula weight:	410.514 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	14.52	(1R)-1-({(6M)-2-(methylamino)-6-[3-(pyrrolidin-1-yl)phenyl]pyrimidin-4-yl}amino)-2,3-dihydro-1H-indene-4-carbonitrile
OpenEye OEToolkits	3.1.0.0	(1~{R})-1-[[2-(methylamino)-6-(3-pyrrolidin-1-ylphenyl)pyrimidin-4-yl]amino]-2,3-dihydro-1~{H}-indene-4-carbonitrile

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	N#Cc1cccc2c1CCC2Nc1cc(nc(NC)n1)c1cccc(c1)N1CCCC1
InChI	InChI	1.06	InChI=1S/C25H26N6/c1-27-25-29-23(17-6-4-8-19(14-17)31-12-2-3-13-31)15-24(30-25)28-22-11-10-20-18(16-26)7-5-9-21(20)22/h4-9,14-15,22H,2-3,10-13H2,1H3,(H2,27,28,29,30)/t22-/m1/s1
InChIKey	InChI	1.06	AAOXHEZQAFYPKY-JOCHJYFZSA-N
SMILES_CANONICAL	CACTVS	3.385	CNc1nc(N[C@@H]2CCc3c(cccc23)C#N)cc(n1)c4cccc(c4)N5CCCC5
SMILES	CACTVS	3.385	CNc1nc(N[CH]2CCc3c(cccc23)C#N)cc(n1)c4cccc(c4)N5CCCC5
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	CNc1nc(cc(n1)N[C@@H]2CCc3c2cccc3C#N)c4cccc(c4)N5CCCC5
SMILES	OpenEye OEToolkits	3.1.0.0	CNc1nc(cc(n1)NC2CCc3c2cccc3C#N)c4cccc(c4)N5CCCC5

251801

PDB entries from 2026-04-08

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