General Information of the Compound
Compound ID
CP0462424
Compound Name
N-(cyclopropylmethyl)-2-ethyl-N-(oxan-4-ylmethyl)-7-(2,4,6-trimethoxyphenyl)pyrazolo[1,5-a]pyridin-3-amine
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Structure
Formula
C28H37N3O4
Molecular Weight
479.621
Canonical SMILES
CCc1nn2c(cccc2c1N(CC1CC1)CC1CCOCC1)-c1c(OC)cc(OC)cc1OC
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InChI
InChI=1S/C28H37N3O4/c1-5-22-28(30(17-19-9-10-19)18-20-11-13-35-14-12-20)24-8-6-7-23(31(24)29-22)27-25(33-3)15-21(32-2)16-26(27)34-4/h6-8,15-16,19-20H,5,9-14,17-18H2,1-4H3
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InChIKey
KOEJYLNPZHBZTF-UHFFFAOYSA-N
Physicochemical Property
logP
5.2325
Rotatable Bonds
10
Heavy Atom Count
35
Polar Areas
57.46
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
Complexity
35

"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: 58730488
SID: 144086958
ChEMBL ID
CHEMBL2087564
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 = 42 nM
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