General Information of the Compound
Compound ID
CP0530389
Compound Name
N-(cyclopropylmethyl)-7-[4-(ethoxymethyl)-2,6-dimethoxyphenyl]-2-ethyl-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyridin-3-amine
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Structure
Formula
C30H41N3O4
Molecular Weight
507.675
Canonical SMILES
CCOCc1cc(OC)c(c(OC)c1)-c1cccc2c(N(CC3CC3)CC3CCOCC3)c(CC)nn12
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InChI
InChI=1S/C30H41N3O4/c1-5-24-30(32(18-21-10-11-21)19-22-12-14-37-15-13-22)26-9-7-8-25(33(26)31-24)29-27(34-3)16-23(20-36-6-2)17-28(29)35-4/h7-9,16-17,21-22H,5-6,10-15,18-20H2,1-4H3
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InChIKey
DUYCOZICJLLWHG-UHFFFAOYSA-N
Physicochemical Property
logP
5.7604
Rotatable Bonds
12
Heavy Atom Count
37
Polar Areas
57.46
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
Complexity
37

"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: 9827578
SID: 14786787
ChEMBL ID
CHEMBL2087569
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 = 49 nM
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