General Information of the Compound
Compound ID
CP0140808
Compound Name
4-(2-(5-methyl-1H-pyrazol-1-yl)ethylamino)-3-(4-methyl-6-morpholino-1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-one
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Structure
Formula
C23H27N7O2
Molecular Weight
433.516
Canonical SMILES
Cc1ccnn1CCNc1cc[nH]c(=O)c1-c1nc2c(C)cc(cc2[nH]1)N1CCOCC1
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InChI
InChI=1S/C23H27N7O2/c1-15-13-17(29-9-11-32-12-10-29)14-19-21(15)28-22(27-19)20-18(4-5-25-23(20)31)24-7-8-30-16(2)3-6-26-30/h3-6,13-14H,7-12H2,1-2H3,(H,27,28)(H2,24,25,31)
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InChIKey
PEKRZORROVAFCW-UHFFFAOYSA-N
Physicochemical Property
logP
2.68024
Rotatable Bonds
6
Heavy Atom Count
32
Polar Areas
103.86
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
7
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: 136036569
ChEMBL ID
CHEMBL257324
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: PT01104, Insulin-like growth factor 1 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000766 SAL1 Homo sapiens (Human)  1
1
IC50 = 542 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 270 nM