General Information of the Compound
Compound ID
CP0408775
Compound Name
3-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-6-methoxy-N-(oxan-4-yl)-N-propylpyrazolo[5,1-b][1,3]thiazol-7-amine
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Structure
Formula
C24H33N3O5S
Molecular Weight
475.611
Canonical SMILES
CCCN(C1CCOCC1)c1c(OC)nn2c(csc12)-c1c(OC)cc(COC)cc1OC
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InChI
InChI=1S/C24H33N3O5S/c1-6-9-26(17-7-10-32-11-8-17)22-23(31-5)25-27-18(15-33-24(22)27)21-19(29-3)12-16(14-28-2)13-20(21)30-4/h12-13,15,17H,6-11,14H2,1-5H3
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InChIKey
IFYKMCAPVKAGQX-UHFFFAOYSA-N
Physicochemical Property
logP
4.6304
Rotatable Bonds
10
Heavy Atom Count
33
Polar Areas
66.69
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
9
Complexity
33

"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: 57912441
SID: 163490597
ChEMBL ID
CHEMBL2179186
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 = 98 nM
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