General Information of the Compound
Compound ID
CP0390513
Compound Name
3-((5'-chloro-3'-fluoro-2'-(5-methyl-1,2,4-oxadiazol-3-yl)biphenyl-4-yl)methyl)-1-hydroxy-1-methylurea
    Show/Hide
Structure
Formula
C18H16ClFN4O3
Molecular Weight
390.802
Canonical SMILES
CN(O)C(=O)NCc1ccc(cc1)-c1cc(Cl)cc(F)c1-c1noc(C)n1
    Show/Hide
InChI
InChI=1S/C18H16ClFN4O3/c1-10-22-17(23-27-10)16-14(7-13(19)8-15(16)20)12-5-3-11(4-6-12)9-21-18(25)24(2)26/h3-8,26H,9H2,1-2H3,(H,21,25)
    Show/Hide
InChIKey
LXRYLCMDONTDPK-UHFFFAOYSA-N
Physicochemical Property
logP
4.03512
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
91.49
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
27

"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: 46230891
ChEMBL ID
CHEMBL598666
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: PT01032, B1 bradykinin receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000411 IMR-90 Homo sapiens (Human)  1
1
IC50 > 100 nM
   TI
   LI
   LO
   TS