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Summary Geometry Related PDB entries

NL4

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)-N,N-dimethylbenzamide
Formula:	C24 H23 Cl N8 O
Formal charge:	0
Formula weight:	474.945 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]-N,N-dimethyl-benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C24H23ClN8O/c1-14-18(13-32(4)30-14)22-28-21-20(19(25)10-26-23(21)29-22)17-9-27-33(12-17)11-15-6-5-7-16(8-15)24(34)31(2)3/h5-10,12-13H,11H2,1-4H3,(H,26,28,29)
InChIKey	InChI	1.03	SAMGYEUAKOLWAS-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CN(C)C(=O)c1cccc(Cn2cc(cn2)c3c(Cl)cnc4nc([nH]c34)c5cn(C)nc5C)c1
SMILES	CACTVS	3.385	CN(C)C(=O)c1cccc(Cn2cc(cn2)c3c(Cl)cnc4nc([nH]c34)c5cn(C)nc5C)c1
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	Cc1c(cn(n1)C)c2[nH]c3c(c(cnc3n2)Cl)c4cnn(c4)Cc5cccc(c5)C(=O)N(C)C
SMILES	OpenEye OEToolkits	1.7.6	Cc1c(cn(n1)C)c2[nH]c3c(c(cnc3n2)Cl)c4cnn(c4)Cc5cccc(c5)C(=O)N(C)C

220113

PDB entries from 2024-05-22

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