General Information of the Compound
Compound ID
CP0543743
Compound Name
1-(2-chlorophenyl)-3-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]urea
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Structure
Formula
C24H23ClN4O
Molecular Weight
418.928
Canonical SMILES
CCn1c(CCc2ccc(NC(=O)Nc3ccccc3Cl)cc2)nc2ccccc12
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InChI
InChI=1S/C24H23ClN4O/c1-2-29-22-10-6-5-9-21(22)27-23(29)16-13-17-11-14-18(15-12-17)26-24(30)28-20-8-4-3-7-19(20)25/h3-12,14-15H,2,13,16H2,1H3,(H2,26,28,30)
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InChIKey
PDUDWNVARLOXKI-UHFFFAOYSA-N
Physicochemical Property
logP
6.1388
Rotatable Bonds
6
Heavy Atom Count
30
Polar Areas
58.95
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
30

"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: 46382305
ChEMBL ID
CHEMBL4535153
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 = 20000 nM
   TI
   LI
   LO
   TS