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Summary Geometry Related PDB entries

7GX

Summary

Name:	6-(2-ethyl-4-hydroxyphenyl)-N-(6-methylpyridin-3-yl)-1H-indazole-3-carboxamide
Formula:	C22 H20 N4 O2
Formal charge:	0
Formula weight:	372.42 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	6-(2-ethyl-4-hydroxyphenyl)-N-(6-methylpyridin-3-yl)-1H-indazole-3-carboxamide
OpenEye OEToolkits	2.0.6	6-(2-ethyl-4-oxidanyl-phenyl)-~{N}-(6-methylpyridin-3-yl)-1~{H}-indazole-3-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1c(c(ccc1O)c4cc3nnc(C(Nc2ccc(C)nc2)=O)c3cc4)CC
InChI	InChI	1.03	InChI=1S/C22H20N4O2/c1-3-14-10-17(27)7-9-18(14)15-5-8-19-20(11-15)25-26-21(19)22(28)24-16-6-4-13(2)23-12-16/h4-12,27H,3H2,1-2H3,(H,24,28)(H,25,26)
InChIKey	InChI	1.03	CUKXYSDQFPFABZ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CCc1cc(O)ccc1c2ccc3c([nH]nc3C(=O)Nc4ccc(C)nc4)c2
SMILES	CACTVS	3.385	CCc1cc(O)ccc1c2ccc3c([nH]nc3C(=O)Nc4ccc(C)nc4)c2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	CCc1cc(ccc1c2ccc3c(c2)[nH]nc3C(=O)Nc4ccc(nc4)C)O
SMILES	OpenEye OEToolkits	2.0.6	CCc1cc(ccc1c2ccc3c(c2)[nH]nc3C(=O)Nc4ccc(nc4)C)O

220113

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