Chemical Components in the PDB

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OCZ : Summary

Code

OCZ

One-letter code

X

Molecule name

(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1- carboxamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 1.7.6 (1S)-6-chloranyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide

Formula

C13 H13 Cl N2 O

Formal charge

0

Molecular weight

248.708 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 NC(=O)[CH]1CCCc2c1[nH]c3ccc(Cl)cc23
SMILES OpenEye OEToolkits 1.7.6 c1cc2c(cc1Cl)c3c([nH]2)C(CCC3)C(=O)N
Canonical SMILES CACTVS 3.385 NC(=O)[C@H]1CCCc2c1[nH]c3ccc(Cl)cc23
Canonical SMILES OpenEye OEToolkits 1.7.6 c1cc2c(cc1Cl)c3c([nH]2)[C@H](CCC3)C(=O)N
OCZ

wwPDB Information

Atom count

30 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-06-24

Last modified at

2013-07-12

Status

Released

Obsoleted

Not Assigned