General Information of the Compound
Compound ID
CP0467983
Compound Name
N-(cyclopropylmethyl)-3-(2,4-dichlorophenyl)-N-hexyl-1,5-dimethylpyrazolo[4,3-b]pyridin-7-amine
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Structure
Formula
C24H30Cl2N4
Molecular Weight
445.438
Canonical SMILES
CCCCCCN(CC1CC1)c1cc(C)nc2c(nn(C)c12)-c1ccc(Cl)cc1Cl
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InChI
InChI=1S/C24H30Cl2N4/c1-4-5-6-7-12-30(15-17-8-9-17)21-13-16(2)27-23-22(28-29(3)24(21)23)19-11-10-18(25)14-20(19)26/h10-11,13-14,17H,4-9,12,15H2,1-3H3
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InChIKey
ZBIRMMNMDDEGQP-UHFFFAOYSA-N
Physicochemical Property
logP
7.04722
Rotatable Bonds
9
Heavy Atom Count
30
Polar Areas
33.95
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
30

"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: 44341921
ChEMBL ID
CHEMBL116171
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
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 1 nM
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