General Information of the Compound
Compound ID
CP0507027
Compound Name
(2,5-Dimethyl-3-phenyl-2H-pyrazolo[4,3-d]pyrimidin-7-yl)-dipropyl-amine
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Structure
Formula
C19H25N5
Molecular Weight
323.444
Canonical SMILES
CCCN(CCC)c1nc(C)nc2c(-c3ccccc3)n(C)nc12
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InChI
InChI=1S/C19H25N5/c1-5-12-24(13-6-2)19-17-16(20-14(3)21-19)18(23(4)22-17)15-10-8-7-9-11-15/h7-11H,5-6,12-13H2,1-4H3
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InChIKey
IHFUEVMLVQBJQL-UHFFFAOYSA-N
Physicochemical Property
logP
3.96512
Rotatable Bonds
6
Heavy Atom Count
24
Polar Areas
46.84
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
24

"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: 44307856
ChEMBL ID
CHEMBL304048
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
CL000016 IMR-32 Homo sapiens (Human)  1
1
Ki > 5000 nM
   TI
   LI
   LO
   TS