General Information of the Compound
Compound ID
CP0509484
Compound Name
5-methyl-N,N,2-tripropyl-3-(2,4,6-trimethylphenyl)pyrazolo[4,3-d]pyrimidin-7-amine
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Structure
Formula
C24H35N5
Molecular Weight
393.579
Canonical SMILES
CCCN(CCC)c1nc(C)nc2c(-c3c(C)cc(C)cc3C)n(CCC)nc12
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InChI
InChI=1S/C24H35N5/c1-8-11-28(12-9-2)24-22-21(25-19(7)26-24)23(29(27-22)13-10-3)20-17(5)14-16(4)15-18(20)6/h14-15H,8-13H2,1-7H3
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InChIKey
LZIOYNIGMMXORJ-UHFFFAOYSA-N
Physicochemical Property
logP
5.76338
Rotatable Bonds
8
Heavy Atom Count
29
Polar Areas
46.84
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
29

"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: 44307806
ChEMBL ID
CHEMBL68076
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 = 11 nM
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