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Summary

Name:	N~4~,N~4~,1-trimethyl-N~5~-(2-phenyl-1H-benzimidazol-5-yl)-1H-pyrazole-4,5-dicarboxamide
Formula:	C21 H20 N6 O2
Formal charge:	0
Formula weight:	388.423 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N~4~,N~4~,1-trimethyl-N~5~-(2-phenyl-1H-benzimidazol-5-yl)-1H-pyrazole-4,5-dicarboxamide
OpenEye OEToolkits	2.0.7	~{N}4,~{N}4,2-trimethyl-~{N}3-(2-phenyl-1~{H}-benzimidazol-5-yl)pyrazole-3,4-dicarboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(c1cnn(C)c1C(=O)Nc1ccc2[NH]c(nc2c1)c1ccccc1)N(C)C
InChI	InChI	1.03	InChI=1S/C21H20N6O2/c1-26(2)21(29)15-12-22-27(3)18(15)20(28)23-14-9-10-16-17(11-14)25-19(24-16)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,23,28)(H,24,25)
InChIKey	InChI	1.03	FPXYSABPAGHOSR-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CN(C)C(=O)c1cnn(C)c1C(=O)Nc2ccc3[nH]c(nc3c2)c4ccccc4
SMILES	CACTVS	3.385	CN(C)C(=O)c1cnn(C)c1C(=O)Nc2ccc3[nH]c(nc3c2)c4ccccc4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cn1c(c(cn1)C(=O)N(C)C)C(=O)Nc2ccc3c(c2)nc([nH]3)c4ccccc4
SMILES	OpenEye OEToolkits	2.0.7	Cn1c(c(cn1)C(=O)N(C)C)C(=O)Nc2ccc3c(c2)nc([nH]3)c4ccccc4

222415

数据于2024-07-10公开中

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