General Information of the Compound
Compound ID
CP0510708
Compound Name
3-((5'-chloro-3,3'-difluoro-2'-(5-methyl-1,2,4-oxadiazol-3-yl)biphenyl-4-yl)methyl)-1-hydroxy-1-methylurea
    Show/Hide
Structure
Formula
C18H15ClF2N4O3
Molecular Weight
408.792
Canonical SMILES
CN(O)C(=O)NCc1ccc(cc1F)-c1cc(Cl)cc(F)c1-c1noc(C)n1
    Show/Hide
InChI
InChI=1S/C18H15ClF2N4O3/c1-9-23-17(24-28-9)16-13(6-12(19)7-15(16)21)10-3-4-11(14(20)5-10)8-22-18(26)25(2)27/h3-7,27H,8H2,1-2H3,(H,22,26)
    Show/Hide
InChIKey
HPKLHKDVODDHRV-UHFFFAOYSA-N
Physicochemical Property
logP
4.17422
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
91.49
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
28

"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: 46230890
ChEMBL ID
CHEMBL603894
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 = 32 nM
   TI
   LI
   LO
   TS