General Information of the Compound
Compound ID
CP0144716
Compound Name
N-(cyclopropylmethyl)-3-(2,4-dichlorophenyl)-2,5-dimethyl-N-propylpyrazolo[1,5-a]pyrimidin-7-amine
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Structure
Formula
C21H24Cl2N4
Molecular Weight
403.357
Canonical SMILES
CCCN(CC1CC1)c1cc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl
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InChI
InChI=1S/C21H24Cl2N4/c1-4-9-26(12-15-5-6-15)19-10-13(2)24-21-20(14(3)25-27(19)21)17-8-7-16(22)11-18(17)23/h7-8,10-11,15H,4-6,9,12H2,1-3H3
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InChIKey
MOFYZEYIRXKTQI-UHFFFAOYSA-N
Physicochemical Property
logP
5.94634
Rotatable Bonds
6
Heavy Atom Count
27
Polar Areas
33.43
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
27

"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: 11774042
SID: 16883311
ChEMBL ID
CHEMBL65078
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)  3
1
IC50 = 29 nM
   TI
   LI
   LO
   TS
2
Ki = 1.6 nM
   TI
   LI
   LO
   TS
3
Ki = 3.2 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 1.3 nM