Chemical Components in the PDB

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5EZ : Summary

Code

5EZ

One-letter code

X

Molecule name

7-choro-6-[(3R)-pyrrolidin-3-ylmethoxy]isoquinolin-1(2H)-one

Systematic names

ProgramVersionName
OpenEye OEToolkits 1.7.6 7-chloranyl-6-[[(3R)-pyrrolidin-3-yl]methoxy]-2H-isoquinolin-1-one

Formula

C14 H15 Cl N2 O2

Formal charge

0

Molecular weight

278.734 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.370 Clc1cc2C(=O)NC=Cc2cc1OC[CH]3CCNC3
SMILES OpenEye OEToolkits 1.7.6 c1c2c(cc(c1OCC3CCNC3)Cl)C(=O)NC=C2
Canonical SMILES CACTVS 3.370 Clc1cc2C(=O)NC=Cc2cc1OC[C@@H]3CCNC3
Canonical SMILES OpenEye OEToolkits 1.7.6 c1c2c(cc(c1OC[C@@H]3CCNC3)Cl)C(=O)NC=C2
5EZ

wwPDB Information

Atom count

34 (19 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-02-04

Last modified at

2013-05-17

Status

Released

Obsoleted

Not Assigned