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Summary Geometry Related PDB entries

OCG

Summary

Name:	5-amino-N-[5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl]-1-phenyl-1H-pyrazole-4-carboxamide
Formula:	C21 H18 N6 O3
Formal charge:	0
Formula weight:	402.406 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	5-amino-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-phenyl-1H-pyrazole-4-carboxamide
OpenEye OEToolkits	1.7.0	5-azanyl-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-phenyl-pyrazole-4-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(c3ccc(c(NC(=O)c1c(N)n(nc1)c2ccccc2)c3)C)Nc4nocc4
SMILES_CANONICAL	CACTVS	3.370	Cc1ccc(cc1NC(=O)c2cnn(c2N)c3ccccc3)C(=O)Nc4ccon4
SMILES	CACTVS	3.370	Cc1ccc(cc1NC(=O)c2cnn(c2N)c3ccccc3)C(=O)Nc4ccon4
SMILES_CANONICAL	OpenEye OEToolkits	1.7.0	Cc1ccc(cc1NC(=O)c2cnn(c2N)c3ccccc3)C(=O)Nc4ccon4
SMILES	OpenEye OEToolkits	1.7.0	Cc1ccc(cc1NC(=O)c2cnn(c2N)c3ccccc3)C(=O)Nc4ccon4
InChI	InChI	1.03	InChI=1S/C21H18N6O3/c1-13-7-8-14(20(28)25-18-9-10-30-26-18)11-17(13)24-21(29)16-12-23-27(19(16)22)15-5-3-2-4-6-15/h2-12H,22H2,1H3,(H,24,29)(H,25,26,28)
InChIKey	InChI	1.03	DMYYPSLMFSEFCK-UHFFFAOYSA-N

250059

PDB entries from 2026-03-04

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