General Information of the Compound
Compound ID
CP0432111
Compound Name
1-(5-chloro-2-methoxyphenyl)-3-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]urea
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Structure
Formula
C25H25ClN4O2
Molecular Weight
448.954
Canonical SMILES
CCn1c(CCc2ccc(NC(=O)Nc3cc(Cl)ccc3OC)cc2)nc2ccccc12
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InChI
InChI=1S/C25H25ClN4O2/c1-3-30-22-7-5-4-6-20(22)28-24(30)15-10-17-8-12-19(13-9-17)27-25(31)29-21-16-18(26)11-14-23(21)32-2/h4-9,11-14,16H,3,10,15H2,1-2H3,(H2,27,29,31)
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InChIKey
CWHFIIXRJARLHX-UHFFFAOYSA-N
Physicochemical Property
logP
6.1474
Rotatable Bonds
7
Heavy Atom Count
32
Polar Areas
68.18
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
32

"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: 46382310
ChEMBL ID
CHEMBL4590914
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 = 970.4 nM
   TI
   LI
   LO
   TS