Chemical Components in the PDB

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OHZ : Summary

Code

OHZ

One-letter code

X

Molecule name

1-(3-Chloro-5-trifluoromethoxy-phenyl)-3-[2-(2-hydroxy-ethyl)-phenyl]-urea

Synonyms

1-[3-chloranyl-5-(trifluoromethyloxy)phenyl]-3-[2-(2-hydroxyethyl)phenyl]urea

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 1-[3-chloranyl-5-(trifluoromethyloxy)phenyl]-3-[2-(2-hydroxyethyl)phenyl]urea

Formula

C16 H14 Cl F3 N2 O3

Formal charge

0

Molecular weight

374.742 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 OCCc1ccccc1NC(=O)Nc2cc(Cl)cc(OC(F)(F)F)c2
SMILES OpenEye OEToolkits 2.0.7 c1ccc(c(c1)CCO)NC(=O)Nc2cc(cc(c2)Cl)OC(F)(F)F
Canonical SMILES CACTVS 3.385 OCCc1ccccc1NC(=O)Nc2cc(Cl)cc(OC(F)(F)F)c2
Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccc(c(c1)CCO)NC(=O)Nc2cc(cc(c2)Cl)OC(F)(F)F

IUPAC InChI

InChI=1S/C16H14ClF3N2O3/c17-11-7-12(9-13(8-11)25-16(18,19)20)21-15(24)22-14-4-2-1-3-10(14)5-6-23/h1-4,7-9,23H,5-6H2,(H2,21,22,24)

IUPAC InChI key

MFPOPEHXGDSREH-UHFFFAOYSA-N
OHZ

wwPDB Information

Atom count

39 (25 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-03-13

Last modified at

2020-10-09

Status

Released

Obsoleted

Not Assigned