General Information of the Compound
Compound ID
CP0530826
Compound Name
N-cyclopentyl-3-(2,4-dichlorophenyl)-2,5-dimethylpyrazolo[4,3-d]pyrimidin-7-amine
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Structure
Formula
C18H19Cl2N5
Molecular Weight
376.291
Canonical SMILES
Cc1nc(NC2CCCC2)c2nn(C)c(-c3ccc(Cl)cc3Cl)c2n1
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InChI
InChI=1S/C18H19Cl2N5/c1-10-21-15-16(18(22-10)23-12-5-3-4-6-12)24-25(2)17(15)13-8-7-11(19)9-14(13)20/h7-9,12H,3-6H2,1-2H3,(H,21,22,23)
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InChIKey
AIVYXSGNYNBFLN-UHFFFAOYSA-N
Physicochemical Property
logP
5.00002
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
55.63
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
25

"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: 44308187
ChEMBL ID
CHEMBL69968
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 = 17 nM
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