General Information of the Compound
Compound ID
CP0415957
Compound Name
1-(5-chloro-2-methoxyphenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea
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Structure
Formula
C24H23ClN4O2
Molecular Weight
434.927
Canonical SMILES
COc1ccc(Cl)cc1NC(=O)Nc1ccc(CCc2nc3ccccc3n2C)cc1
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InChI
InChI=1S/C24H23ClN4O2/c1-29-21-6-4-3-5-19(21)27-23(29)14-9-16-7-11-18(12-8-16)26-24(30)28-20-15-17(25)10-13-22(20)31-2/h3-8,10-13,15H,9,14H2,1-2H3,(H2,26,28,30)
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InChIKey
OIKZPLBNHQQMOM-UHFFFAOYSA-N
Physicochemical Property
logP
5.6645
Rotatable Bonds
6
Heavy Atom Count
31
Polar Areas
68.18
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
31

"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: 46382338
ChEMBL ID
CHEMBL4456764
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: PT01390, BDNF/NT-3 growth factors receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 20000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00934, High affinity nerve growth factor receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 5007.9 nM
   TI
   LI
   LO
   TS