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Summary Geometry Related PDB entries

8XR

Summary

Name:	(3~{R})-4-cyclopentyl-~{N}-(2,4-dimethylphenyl)-1,3-dimethyl-2-oxidanylidene-3~{H}-quinoxaline-6-carboxamide
Formula:	C24 H29 N3 O2
Formal charge:	0
Formula weight:	391.506 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.6	(3~{R})-4-cyclopentyl-~{N}-(2,4-dimethylphenyl)-1,3-dimethyl-2-oxidanylidene-3~{H}-quinoxaline-6-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C24H29N3O2/c1-15-9-11-20(16(2)13-15)25-23(28)18-10-12-21-22(14-18)27(19-7-5-6-8-19)17(3)24(29)26(21)4/h9-14,17,19H,5-8H2,1-4H3,(H,25,28)/t17-/m1/s1
InChIKey	InChI	1.03	DOTVVPFDFURPQD-QGZVFWFLSA-N
SMILES_CANONICAL	CACTVS	3.385	C[C@H]1N(C2CCCC2)c3cc(ccc3N(C)C1=O)C(=O)Nc4ccc(C)cc4C
SMILES	CACTVS	3.385	C[CH]1N(C2CCCC2)c3cc(ccc3N(C)C1=O)C(=O)Nc4ccc(C)cc4C
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	Cc1ccc(c(c1)C)NC(=O)c2ccc3c(c2)N([C@@H](C(=O)N3C)C)C4CCCC4
SMILES	OpenEye OEToolkits	2.0.6	Cc1ccc(c(c1)C)NC(=O)c2ccc3c(c2)N(C(C(=O)N3C)C)C4CCCC4

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