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Summary Geometry Related PDB entries

8XX

Summary

Name:	(3~{R})-4-cyclopropyl-~{N},1,3-trimethyl-~{N}-(4-methylphenyl)-2-oxidanylidene-3~{H}-quinoxaline-6-carboxamide
Formula:	C22 H25 N3 O2
Formal charge:	0
Formula weight:	363.453 Da
Component type:	NON-POLYMER

Chemical Identifiers

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

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C22H25N3O2/c1-14-5-8-17(9-6-14)23(3)22(27)16-7-12-19-20(13-16)25(18-10-11-18)15(2)21(26)24(19)4/h5-9,12-13,15,18H,10-11H2,1-4H3/t15-/m1/s1
InChIKey	InChI	1.03	BFUVXHIKTHZHOZ-OAHLLOKOSA-N
SMILES_CANONICAL	CACTVS	3.385	C[C@H]1N(C2CC2)c3cc(ccc3N(C)C1=O)C(=O)N(C)c4ccc(C)cc4
SMILES	CACTVS	3.385	C[CH]1N(C2CC2)c3cc(ccc3N(C)C1=O)C(=O)N(C)c4ccc(C)cc4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	Cc1ccc(cc1)N(C)C(=O)c2ccc3c(c2)N([C@@H](C(=O)N3C)C)C4CC4
SMILES	OpenEye OEToolkits	2.0.6	Cc1ccc(cc1)N(C)C(=O)c2ccc3c(c2)N(C(C(=O)N3C)C)C4CC4

222415

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