General Information of the Compound
Compound ID
CP0508270
Compound Name
1-(6-methoxy-2-methylpyridin-3-yl)-N-(2-methoxyethyl)-3,6-dimethyl-N-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
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Structure
Formula
C20H28N6O2
Molecular Weight
384.484
Canonical SMILES
CCCN(CCOC)c1nc(C)nc2n(nc(C)c12)-c1ccc(OC)nc1C
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InChI
InChI=1S/C20H28N6O2/c1-7-10-25(11-12-27-5)19-18-14(3)24-26(20(18)23-15(4)22-19)16-8-9-17(28-6)21-13(16)2/h8-9H,7,10-12H2,1-6H3
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InChIKey
FAGOPEPYYZVHML-UHFFFAOYSA-N
Physicochemical Property
logP
3.00716
Rotatable Bonds
8
Heavy Atom Count
28
Polar Areas
78.19
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
8
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: 45484980
ChEMBL ID
CHEMBL568665
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: PT01588, Corticotropin-releasing factor receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 43 nM
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