Chemical Components in the PDB

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5MK : Summary

Code

5MK

One-letter code

X

Molecule name

2-azanyl-5-chloranyl-benzamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.4 2-azanyl-5-chloranyl-benzamide

Formula

C7 H7 Cl N2 O

Formal charge

0

Molecular weight

170.596 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 NC(=O)c1cc(Cl)ccc1N
SMILES OpenEye OEToolkits 2.0.4 c1cc(c(cc1Cl)C(=O)N)N
Canonical SMILES CACTVS 3.385 NC(=O)c1cc(Cl)ccc1N
Canonical SMILES OpenEye OEToolkits 2.0.4 c1cc(c(cc1Cl)C(=O)N)N

IUPAC InChI

InChI=1S/C7H7ClN2O/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H2,10,11)

IUPAC InChI key

DNRVZOZGQHHDAT-UHFFFAOYSA-N
5MK

wwPDB Information

Atom count

18 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2015-10-22

Last modified at

2016-04-01

Status

Released

Obsoleted

Not Assigned