General Information of the Compound
Compound ID
CP0946141
Compound Name
Cyclopropylmethyl-[3-(2,4-dichloro-phenyl)-5-methyl-1H-pyrazolo[4,3-b]pyridin-7-yl]-propyl-amine
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Formula
C20H22Cl2N4
Molecular Weight
389.33
Canonical SMILES
CCCN(CC1CC1)c1cc(C)[nH]c2c(-c3ccc(Cl)cc3Cl)nnc1-2
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InChI
InChI=1S/C20H22Cl2N4/c1-3-8-26(11-13-4-5-13)17-9-12(2)23-20-18(24-25-19(17)20)15-7-6-14(21)10-16(15)22/h6-7,9-10,13,23H,3-5,8,11H2,1-2H3
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InChIKey
SIIWIGCLMNGEGJ-UHFFFAOYSA-N
Physicochemical Property
logP
5.81812
Rotatable Bonds
6
Heavy Atom Count
26
Polar Areas
44.81
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
26

"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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ChEMBL ID
CHEMBL420681
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
CL000809 HEK273 Homo sapiens (Human)  1
1
Ki = 26 nM
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