English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

Summary Geometry Related PDB entries

A1B1U

Summary

Name:	(6M)-6-(2-chloro-4-methoxyphenyl)-8-methyl-2-[3-(piperazine-1-sulfonyl)anilino]pyrido[2,3-d]pyrimidin-7(8H)-one
Formula:	C25 H25 Cl N6 O4 S
Formal charge:	0
Formula weight:	541.022 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	14.52	(6M)-6-(2-chloro-4-methoxyphenyl)-8-methyl-2-[3-(piperazine-1-sulfonyl)anilino]pyrido[2,3-d]pyrimidin-7(8H)-one
OpenEye OEToolkits	3.1.0.0	6-(2-chloranyl-4-methoxy-phenyl)-8-methyl-2-[(3-piperazin-1-ylsulfonylphenyl)amino]pyrido[2,3-d]pyrimidin-7-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	O=S(=O)(c1cc(Nc2nc3N(C)C(=O)C(=Cc3cn2)c2ccc(OC)cc2Cl)ccc1)N1CCNCC1
InChI	InChI	1.06	InChI=1S/C25H25ClN6O4S/c1-31-23-16(12-21(24(31)33)20-7-6-18(36-2)14-22(20)26)15-28-25(30-23)29-17-4-3-5-19(13-17)37(34,35)32-10-8-27-9-11-32/h3-7,12-15,27H,8-11H2,1-2H3,(H,28,29,30)
InChIKey	InChI	1.06	PYFNDUMPFPAFQJ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1ccc(c(Cl)c1)C2=Cc3cnc(Nc4cccc(c4)[S](=O)(=O)N5CCNCC5)nc3N(C)C2=O
SMILES	CACTVS	3.385	COc1ccc(c(Cl)c1)C2=Cc3cnc(Nc4cccc(c4)[S](=O)(=O)N5CCNCC5)nc3N(C)C2=O
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	CN1c2c(cnc(n2)Nc3cccc(c3)S(=O)(=O)N4CCNCC4)C=C(C1=O)c5ccc(cc5Cl)OC
SMILES	OpenEye OEToolkits	3.1.0.0	CN1c2c(cnc(n2)Nc3cccc(c3)S(=O)(=O)N4CCNCC4)C=C(C1=O)c5ccc(cc5Cl)OC

251422

PDB entries from 2026-04-01

PDB statistics

PDBj update info

Contact PDBj

numon