General Information of the Compound
Compound ID
CP0378726
Compound Name
1-(5-Chloro-2-hydroxy-phenyl)-3-(3-trifluoromethyl-phenyl)-urea
    Show/Hide
Synonyms
1-(5-Chloro-2-hydroxy-phenyl)-3-(3-trifluoromethyl-phenyl)-urea
1-(5-chloro-2-hydroxy-phenyl)-3-[3-(trifluoromethyl)phenyl]urea
1-(5-chloro-2-hydroxyphenyl)-3-(3-trifluoromethylphenyl)urea
160383-80-2
AC1L323R
AKOS029964740
BDBM50158564
C13835
CHEBI:34878
CHEMBL33891
DTXSID80166870
Kinome_784
N-(3-(Trifluoromethyl)phenyl)-N'-(2-hydroxy-5-chlorophenyl)urea
NS 1608
NS-1608
SCHEMBL1463468
SureCN1463468
ns1608
    Show/Hide
Structure
Formula
C14H10ClF3N2O2
Molecular Weight
330.693
Canonical SMILES
Oc1ccc(Cl)cc1NC(=O)Nc1cccc(c1)C(F)(F)F
    Show/Hide
InChI
InChI=1S/C14H10ClF3N2O2/c15-9-4-5-12(21)11(7-9)20-13(22)19-10-3-1-2-8(6-10)14(16,17)18/h1-7,21H,(H2,19,20,22)
    Show/Hide
InChIKey
KRHJDJMOIKRPNN-UHFFFAOYSA-N
CAS
160383-80-2
Physicochemical Property
logP
4.7084
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
61.36
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
2
Complexity
22

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 133058
SID: 14826682
ChEMBL ID
CHEMBL33891
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01518, Glutamate receptor ionotropic, kainate 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 30000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( NS-1608 )
Drug Name NS-1608
Company NeuroSearch A/S
Indication
Cerebrovascular ischaemia
Terminated