General Information of the Compound
Compound ID
CP0206790
Compound Name
4-[7-(3-aminopropoxy)-1-ethyl-4-phenyl-1H-imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
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Structure
Formula
C19H21N7O2
Molecular Weight
379.424
Canonical SMILES
CCn1c(nc2c(ncc(OCCCN)c12)-c1ccccc1)-c1nonc1N
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InChI
InChI=1S/C19H21N7O2/c1-2-26-17-13(27-10-6-9-20)11-22-14(12-7-4-3-5-8-12)15(17)23-19(26)16-18(21)25-28-24-16/h3-5,7-8,11H,2,6,9-10,20H2,1H3,(H2,21,25)
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InChIKey
OAYXVYXQZWJEBE-UHFFFAOYSA-N
Physicochemical Property
logP
2.478
Rotatable Bonds
7
Heavy Atom Count
28
Polar Areas
130.9
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
9
Complexity
28

"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: 11245934
SID: 16330599
ChEMBL ID
CHEMBL493250
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: PT00845, RAC-alpha serine/threonine-protein kinase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000218 BT-474 Homo sapiens (Human)  1
1
IC50 > 30000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 331 nM