General Information of the Compound
Compound ID
CP0063517
Compound Name
4-(2-(5-chloro-1-(2-fluoroethyl)-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
C24H27ClFN7O2
Molecular Weight
499.978
Canonical SMILES
Cc1cc(cc2[nH]c(nc12)-c1c(NCCc2ncn(CCF)c2Cl)cc[nH]c1=O)N1CCOCC1
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InChI
InChI=1S/C24H27ClFN7O2/c1-15-12-16(32-8-10-35-11-9-32)13-19-21(15)31-23(30-19)20-17(2-6-28-24(20)34)27-5-3-18-22(25)33(7-4-26)14-29-18/h2,6,12-14H,3-5,7-11H2,1H3,(H,30,31)(H2,27,28,34)
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InChIKey
BMDWGBKTVZKYCM-UHFFFAOYSA-N
Physicochemical Property
logP
3.53722
Rotatable Bonds
8
Heavy Atom Count
35
Polar Areas
103.86
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
7
Complexity
35

"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: 136036554
ChEMBL ID
CHEMBL442450
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 = 451 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 82 nM