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Summary Geometry Related PDB entries

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Summary

Name:	(4P)-N-{5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl}-4-(2-methoxyphenyl)pyridine-3-carboxamide
Formula:	C22 H17 Cl N4 O3 S
Formal charge:	0
Formula weight:	452.913 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(4P)-N-{5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl}-4-(2-methoxyphenyl)pyridine-3-carboxamide
OpenEye OEToolkits	2.0.7	~{N}-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)pyridine-3-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	COc1ccccc1c1ccncc1C(=O)Nc1nnc(OCc2ccc(Cl)cc2)s1
InChI	InChI	1.06	InChI=1S/C22H17ClN4O3S/c1-29-19-5-3-2-4-17(19)16-10-11-24-12-18(16)20(28)25-21-26-27-22(31-21)30-13-14-6-8-15(23)9-7-14/h2-12H,13H2,1H3,(H,25,26,28)
InChIKey	InChI	1.06	NKBJFGOHTSTLNB-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1ccccc1c2ccncc2C(=O)Nc3sc(OCc4ccc(Cl)cc4)nn3
SMILES	CACTVS	3.385	COc1ccccc1c2ccncc2C(=O)Nc3sc(OCc4ccc(Cl)cc4)nn3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	COc1ccccc1c2ccncc2C(=O)Nc3nnc(s3)OCc4ccc(cc4)Cl
SMILES	OpenEye OEToolkits	2.0.7	COc1ccccc1c2ccncc2C(=O)Nc3nnc(s3)OCc4ccc(cc4)Cl

247536

PDB entries from 2026-01-14

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