General Information of the Compound
Compound ID
CP0482073
Compound Name
N-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-phenylpyridine-4-carboxamide
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Structure
Formula
C23H22N4O2
Molecular Weight
386.455
Canonical SMILES
CC(C)(O)Cn1c2ccccc2[nH]\c1=N/C(=O)c1ccnc(c1)-c1ccccc1
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InChI
InChI=1S/C23H22N4O2/c1-23(2,29)15-27-20-11-7-6-10-18(20)25-22(27)26-21(28)17-12-13-24-19(14-17)16-8-4-3-5-9-16/h3-14,29H,15H2,1-2H3,(H,25,26,28)
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InChIKey
UDMIRQWCOXFLHS-UHFFFAOYSA-N
Physicochemical Property
logP
3.5434
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
83.27
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
29

"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: 139593669
ChEMBL ID
CHEMBL4434788
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: PT01605, Epidermal growth factor receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000077 Ba/F3 Mus musculus (Mouse)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000077 Ba/F3 Mus musculus (Mouse)  1
1
IC50 > 25000 nM
   TI
   LI
   LO
   TS