General Information of the Compound
Compound ID
CP0503328
Compound Name
5-N-(2-chloro-4-methoxyphenyl)-6-methyl-7-N,7-N-dipropylpyrazolo[1,5-a]pyrimidine-5,7-diamine
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Structure
Formula
C20H26ClN5O
Molecular Weight
387.915
Canonical SMILES
CCCN(CCC)c1c(C)c(Nc2ccc(OC)cc2Cl)nc2ccnn12
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InChI
InChI=1S/C20H26ClN5O/c1-5-11-25(12-6-2)20-14(3)19(24-18-9-10-22-26(18)20)23-17-8-7-15(27-4)13-16(17)21/h7-10,13H,5-6,11-12H2,1-4H3,(H,23,24)
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InChIKey
BITPGBVYMGUDFR-UHFFFAOYSA-N
Physicochemical Property
logP
5.06972
Rotatable Bonds
8
Heavy Atom Count
27
Polar Areas
54.69
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
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: 11383650
SID: 16477626
ChEMBL ID
CHEMBL1828889
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
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  2
1
EC50 = 4 nM
   TI
   LI
   LO
   TS
2
IC50 = 8 nM
   TI
   LI
   LO
   TS
Protein ID: PT03947, Corticotropin-releasing factor receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 = 81 nM
   TI
   LI
   LO
   TS