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SummaryGeometryRelated PDB entries

PIL

Summary
Name:3-(CYCLOPENTYLOXY)-N-(3,5-DICHLOROPYRIDIN-4-YL)-4-METHOXYBENZAMIDE
Synonyms:PICLAMILAST
Formula:C18 H18 Cl2 N2 O3
Formal charge:0
Formula weight:381.253 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.043-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-methoxybenzamide
OpenEye OEToolkits1.5.03-cyclopentyloxy-N-(3,5-dichloropyridin-4-yl)-4-methoxy-benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Clc3c(NC(=O)c2ccc(OC)c(OC1CCCC1)c2)c(Cl)cnc3
SMILES_CANONICALCACTVS3.341COc1ccc(cc1OC2CCCC2)C(=O)Nc3c(Cl)cncc3Cl
SMILESCACTVS3.341COc1ccc(cc1OC2CCCC2)C(=O)Nc3c(Cl)cncc3Cl
SMILES_CANONICALOpenEye OEToolkits1.5.0COc1ccc(cc1OC2CCCC2)C(=O)Nc3c(cncc3Cl)Cl
SMILESOpenEye OEToolkits1.5.0COc1ccc(cc1OC2CCCC2)C(=O)Nc3c(cncc3Cl)Cl
InChIInChI1.03InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23)
InChIKeyInChI1.03RRRUXBQSQLKHEL-UHFFFAOYSA-N

218853

PDB entries from 2024-04-24

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