Chemical Components in the PDB

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7ZV : Summary

Code

7ZV

One-letter code

X

Molecule name

5-hydroxydiclofenac

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 2-[2-[[2,6-bis(chloranyl)phenyl]amino]-5-oxidanyl-phenyl]ethanoic acid

Formula

C14 H11 Cl2 N O3

Formal charge

0

Molecular weight

312.148 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 OC(=O)Cc1cc(O)ccc1Nc2c(Cl)cccc2Cl
SMILES OpenEye OEToolkits 2.0.6 c1cc(c(c(c1)Cl)Nc2ccc(cc2CC(=O)O)O)Cl
Canonical SMILES CACTVS 3.385 OC(=O)Cc1cc(O)ccc1Nc2c(Cl)cccc2Cl
Canonical SMILES OpenEye OEToolkits 2.0.6 c1cc(c(c(c1)Cl)Nc2ccc(cc2CC(=O)O)O)Cl

IUPAC InChI

InChI=1S/C14H11Cl2NO3/c15-10-2-1-3-11(16)14(10)17-12-5-4-9(18)6-8(12)7-13(19)20/h1-6,17-18H,7H2,(H,19,20)

IUPAC InChI key

VNQURRWYKFZKJZ-UHFFFAOYSA-N
7ZV

wwPDB Information

Atom count

31 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2016-12-13

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned