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Summary Geometry Related PDB entries

8C5

Summary

Name:	8-cyclohexyl-N-methoxy-5-oxo-2-{[4-(2-pyrrolidin-1-ylethyl)phenyl]amino}-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide
Formula:	C27 H34 N6 O3
Formal charge:	0
Formula weight:	490.597 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	8-cyclohexyl-N-methoxy-5-oxo-2-{[4-(2-pyrrolidin-1-ylethyl)phenyl]amino}-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide
OpenEye OEToolkits	1.5.0	8-cyclohexyl-N-methoxy-5-oxo-2-[[4-(2-pyrrolidin-1-ylethyl)phenyl]amino]pyrido[6,5-d]pyrimidine-6-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(NOC)C2=CN(c1nc(ncc1C2=O)Nc3ccc(cc3)CCN4CCCC4)C5CCCCC5
SMILES_CANONICAL	CACTVS	3.341	CONC(=O)C1=CN(C2CCCCC2)c3nc(Nc4ccc(CCN5CCCC5)cc4)ncc3C1=O
SMILES	CACTVS	3.341	CONC(=O)C1=CN(C2CCCCC2)c3nc(Nc4ccc(CCN5CCCC5)cc4)ncc3C1=O
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	CONC(=O)C1=CN(c2c(cnc(n2)Nc3ccc(cc3)CCN4CCCC4)C1=O)C5CCCCC5
SMILES	OpenEye OEToolkits	1.5.0	CONC(=O)C1=CN(c2c(cnc(n2)Nc3ccc(cc3)CCN4CCCC4)C1=O)C5CCCCC5
InChI	InChI	1.03	InChI=1S/C27H34N6O3/c1-36-31-26(35)23-18-33(21-7-3-2-4-8-21)25-22(24(23)34)17-28-27(30-25)29-20-11-9-19(10-12-20)13-16-32-14-5-6-15-32/h9-12,17-18,21H,2-8,13-16H2,1H3,(H,31,35)(H,28,29,30)
InChIKey	InChI	1.03	LYINTIKJROJCGF-UHFFFAOYSA-N

248636

PDB entries from 2026-02-04

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