General Information of the Compound
Compound ID
CP0302715
Compound Name
8-(2-methoxyphenyl)-1-methyl-7-phenyl-1H-imidazo[1,2-f]purine-2,4(3H,8H)-dione
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Structure
Formula
C21H17N5O3
Molecular Weight
387.399
Canonical SMILES
COc1ccccc1-n1c(cn2c1nc1n(C)c(=O)[nH]c(=O)c21)-c1ccccc1
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InChI
InChI=1S/C21H17N5O3/c1-24-18-17(19(27)23-21(24)28)25-12-15(13-8-4-3-5-9-13)26(20(25)22-18)14-10-6-7-11-16(14)29-2/h3-12H,1-2H3,(H,23,27,28)
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InChIKey
RCJPZVKYTXAIBI-UHFFFAOYSA-N
Physicochemical Property
logP
2.3408
Rotatable Bonds
3
Heavy Atom Count
29
Polar Areas
86.32
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
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: 4886490
ChEMBL ID
CHEMBL577156
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: PT01028, Ephrin type-B receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
IC50 = 3300 nM
   TI
   LI
   LO
   TS
2
IC50 = 4350 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 3300 nM
2 IC50 = 4350 nM