Chemical Components in the PDB

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KVU : Summary

Code

KVU

One-letter code

X

Molecule name

1-(2,4-dichlorophenyl)-3-oxidanyl-urea

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 1-(2,4-dichlorophenyl)-3-oxidanyl-urea

Formula

C7 H6 Cl2 N2 O2

Formal charge

0

Molecular weight

221.041 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 ONC(=O)Nc1ccc(Cl)cc1Cl
SMILES OpenEye OEToolkits 2.0.7 c1cc(c(cc1Cl)Cl)NC(=O)NO
Canonical SMILES CACTVS 3.385 ONC(=O)Nc1ccc(Cl)cc1Cl
Canonical SMILES OpenEye OEToolkits 2.0.7 c1cc(c(cc1Cl)Cl)NC(=O)NO

IUPAC InChI

InChI=1S/C7H6Cl2N2O2/c8-4-1-2-6(5(9)3-4)10-7(12)11-13/h1-3,13H,(H2,10,11,12)

IUPAC InChI key

DJPGEWSKXZZHCC-UHFFFAOYSA-N
KVU

wwPDB Information

Atom count

19 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-06-07

Last modified at

2022-11-18

Status

Released

Obsoleted

Not Assigned