General Information of the Compound
Compound ID
CP0510775
Compound Name
1,5-dimethyl-N,N-dipropyl-3-(2,4,6-trimethylphenyl)pyrazolo[4,3-d]pyrimidin-7-amine
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Structure
Formula
C22H31N5
Molecular Weight
365.525
Canonical SMILES
CCCN(CCC)c1nc(C)nc2c(nn(C)c12)-c1c(C)cc(C)cc1C
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InChI
InChI=1S/C22H31N5/c1-8-10-27(11-9-2)22-21-20(23-17(6)24-22)19(25-26(21)7)18-15(4)12-14(3)13-16(18)5/h12-13H,8-11H2,1-7H3
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InChIKey
TWWIAVMRIQCHLP-UHFFFAOYSA-N
Physicochemical Property
logP
4.89038
Rotatable Bonds
6
Heavy Atom Count
27
Polar Areas
46.84
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
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: 10428930
SID: 15448416
ChEMBL ID
CHEMBL67484
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 = 1 nM
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