General Information of the Compound
Compound ID
CP0526974
Compound Name
N-(cyclopropylmethyl)-7-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-2-methyl-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyridin-3-amine
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Structure
Formula
C28H37N3O4
Molecular Weight
479.621
Canonical SMILES
COCc1cc(OC)c(c(OC)c1)-c1cccc2c(N(CC3CC3)CC3CCOCC3)c(C)nn12
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InChI
InChI=1S/C28H37N3O4/c1-19-28(30(16-20-8-9-20)17-21-10-12-35-13-11-21)24-7-5-6-23(31(24)29-19)27-25(33-3)14-22(18-32-2)15-26(27)34-4/h5-7,14-15,20-21H,8-13,16-18H2,1-4H3
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InChIKey
PPSFAYXLBKTJPN-UHFFFAOYSA-N
Physicochemical Property
logP
5.11632
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: 58801647
SID: 144086458
ChEMBL ID
CHEMBL2087575
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)  2
1
IC50 = 50 nM
   TI
   LI
   LO
   TS
2
IC50 = 120 nM
   TI
   LI
   LO
   TS