Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

PIL : Summary

Code

PIL

One-letter code

X

Molecule name

3-(CYCLOPENTYLOXY)-N-(3,5-DICHLOROPYRIDIN-4-YL)-4-METHOXYBENZAMIDE

Synonyms

PICLAMILAST

Systematic names

ProgramVersionName
ACDLabs 10.04 3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-methoxybenzamide
OpenEye OEToolkits 1.5.0 3-cyclopentyloxy-N-(3,5-dichloropyridin-4-yl)-4-methoxy-benzamide

Formula

C18 H18 Cl2 N2 O3

Formal charge

0

Molecular weight

381.253 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 Clc3c(NC(=O)c2ccc(OC)c(OC1CCCC1)c2)c(Cl)cnc3
SMILES CACTVS 3.341 COc1ccc(cc1OC2CCCC2)C(=O)Nc3c(Cl)cncc3Cl
SMILES OpenEye OEToolkits 1.5.0 COc1ccc(cc1OC2CCCC2)C(=O)Nc3c(cncc3Cl)Cl
Canonical SMILES CACTVS 3.341 COc1ccc(cc1OC2CCCC2)C(=O)Nc3c(Cl)cncc3Cl
Canonical SMILES OpenEye OEToolkits 1.5.0 COc1ccc(cc1OC2CCCC2)C(=O)Nc3c(cncc3Cl)Cl

IUPAC InChI

InChI=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)

IUPAC InChI key

RRRUXBQSQLKHEL-UHFFFAOYSA-N
PIL

wwPDB Information

Atom count

43 (25 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2004-11-17

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned