General Information of the Compound
Compound ID
CP0424478
Compound Name
N-(cyclopropylmethyl)-2-ethyl-7-(2-methoxy-4,6-dimethylphenyl)-N-(oxolan-3-ylmethyl)pyrazolo[1,5-a]pyridin-3-amine
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Structure
Formula
C27H35N3O2
Molecular Weight
433.596
Canonical SMILES
CCc1nn2c(cccc2c1N(CC1CC1)CC1CCOC1)-c1c(C)cc(C)cc1OC
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InChI
InChI=1S/C27H35N3O2/c1-5-22-27(29(15-20-9-10-20)16-21-11-12-32-17-21)24-8-6-7-23(30(24)28-22)26-19(3)13-18(2)14-25(26)31-4/h6-8,13-14,20-21H,5,9-12,15-17H2,1-4H3
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InChIKey
VRZVFYQGTZLFCS-UHFFFAOYSA-N
Physicochemical Property
logP
5.44204
Rotatable Bonds
8
Heavy Atom Count
32
Polar Areas
39
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
32

"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: 21984783
SID: 144086758
ChEMBL ID
CHEMBL2087559
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
IC50 = 38 nM
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