General Information of the Compound
Compound ID
CP0533323
Compound Name
1-(3-chloro-4-(4-chlorophenoxy)phenyl)-3-(2-chlorobenzoyl)urea
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Structure
Formula
C20H13Cl3N2O3
Molecular Weight
435.694
Canonical SMILES
Clc1ccc(Oc2ccc(NC(=O)NC(=O)c3ccccc3Cl)cc2Cl)cc1
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InChI
InChI=1S/C20H13Cl3N2O3/c21-12-5-8-14(9-6-12)28-18-10-7-13(11-17(18)23)24-20(27)25-19(26)15-3-1-2-4-16(15)22/h1-11H,(H2,24,25,26,27)
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InChIKey
GCHJLHIBGBKBIA-UHFFFAOYSA-N
Physicochemical Property
logP
6.401
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
67.43
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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).

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PubChem ID
CID: 44561285
ChEMBL ID
CHEMBL452040
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: PT01473, Glucagon receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 482 nM
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