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Summary Geometry Related PDB entries

A1ADE

Summary

Name:	methyl 2-chloro-5-(methyl{(8R)-3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carbonyl}amino)benzoate
Formula:	C25 H21 Cl N4 O4
Formal charge:	0
Formula weight:	476.912 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	methyl 2-chloro-5-(methyl{(8R)-3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carbonyl}amino)benzoate
OpenEye OEToolkits	2.0.7	methyl 2-chloranyl-5-[methyl-[3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]carbonyl-amino]benzoate

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(OC)c1cc(ccc1Cl)N(C)C(=O)c1ccn2ncc(c2c1)c1ccc(cc1)C(=O)NC
InChI	InChI	1.06	InChI=1S/C25H21ClN4O4/c1-27-23(31)16-6-4-15(5-7-16)20-14-28-30-11-10-17(12-22(20)30)24(32)29(2)18-8-9-21(26)19(13-18)25(33)34-3/h4-14H,1-3H3,(H,27,31)
InChIKey	InChI	1.06	UUGWSUYPJGPKKF-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CNC(=O)c1ccc(cc1)c2cnn3ccc(cc23)C(=O)N(C)c4ccc(Cl)c(c4)C(=O)OC
SMILES	CACTVS	3.385	CNC(=O)c1ccc(cc1)c2cnn3ccc(cc23)C(=O)N(C)c4ccc(Cl)c(c4)C(=O)OC
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CNC(=O)c1ccc(cc1)c2cnn3c2cc(cc3)C(=O)N(C)c4ccc(c(c4)C(=O)OC)Cl
SMILES	OpenEye OEToolkits	2.0.7	CNC(=O)c1ccc(cc1)c2cnn3c2cc(cc3)C(=O)N(C)c4ccc(c(c4)C(=O)OC)Cl

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