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Summary Geometry Related PDB entries

7HD

Summary

Name:	3-((4-(6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)-1H-pyrazol-1-yl)methyl)-5-methylisoxazole
Formula:	C19 H17 Cl N8 O
Formal charge:	0
Formula weight:	408.844 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	1.7.6	3-[[4-[6-chloranyl-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-1-yl]methyl]-5-methyl-1,2-oxazole

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C19H17ClN8O/c1-10-4-13(26-29-10)8-28-7-12(5-22-28)16-15(20)6-21-19-17(16)23-18(24-19)14-9-27(3)25-11(14)2/h4-7,9H,8H2,1-3H3,(H,21,23,24)
InChIKey	InChI	1.03	FZRLFVHIDOFKIN-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cn1cc(c(C)n1)c2[nH]c3c(ncc(Cl)c3c4cnn(Cc5cc(C)on5)c4)n2
SMILES	CACTVS	3.385	Cn1cc(c(C)n1)c2[nH]c3c(ncc(Cl)c3c4cnn(Cc5cc(C)on5)c4)n2
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	Cc1cc(no1)Cn2cc(cn2)c3c(cnc4c3[nH]c(n4)c5cn(nc5C)C)Cl
SMILES	OpenEye OEToolkits	1.7.6	Cc1cc(no1)Cn2cc(cn2)c3c(cnc4c3[nH]c(n4)c5cn(nc5C)C)Cl

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