General Information of the Compound
Compound ID
CP0332200
Compound Name
4-(2-(1-methyl-1H-imidazol-4-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
Cc1cc(cc2[nH]c(nc12)-c1c(NCCc2cn(C)cn2)cc[nH]c1=O)N1CCOCC1
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InChI
InChI=1S/C23H27N7O2/c1-15-11-17(30-7-9-32-10-8-30)12-19-21(15)28-22(27-19)20-18(4-6-25-23(20)31)24-5-3-16-13-29(2)14-26-16/h4,6,11-14H,3,5,7-10H2,1-2H3,(H,27,28)(H2,24,25,31)
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InChIKey
AYBRPNRWSDGUIP-UHFFFAOYSA-N
Physicochemical Property
logP
2.45132
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: 136036550
ChEMBL ID
CHEMBL256275
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 = 521 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 190 nM