General Information of the Compound
Compound ID
CP0464778
Compound Name
2-(3-Biphenyl-3-yl-ureido)-4-chloro-benzoic acid
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Structure
Formula
C20H15ClN2O3
Molecular Weight
366.804
Canonical SMILES
OC(=O)c1ccc(Cl)cc1NC(=O)Nc1cccc(c1)-c1ccccc1
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InChI
InChI=1S/C20H15ClN2O3/c21-15-9-10-17(19(24)25)18(12-15)23-20(26)22-16-8-4-7-14(11-16)13-5-2-1-3-6-13/h1-12H,(H,24,25)(H2,22,23,26)
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InChIKey
YYTGSSNODJDIJV-UHFFFAOYSA-N
Physicochemical Property
logP
5.3492
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
78.43
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
2
Complexity
26

"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).

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PubChem ID
CID: 10474107
SID: 15497705
ChEMBL ID
CHEMBL157270
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 = 12000 nM
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