General Information of the Compound
Compound ID
CP0467792
Compound Name
2-(3,6-diethyl-5-(4-methylpyridin-2-yloxy)pyrazin-2-ylamino)-2-phenylethanol
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Structure
Formula
C22H26N4O2
Molecular Weight
378.476
Canonical SMILES
CCc1nc(Oc2cc(C)ccn2)c(CC)nc1NC(CO)c1ccccc1
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InChI
InChI=1S/C22H26N4O2/c1-4-17-21(25-19(14-27)16-9-7-6-8-10-16)24-18(5-2)22(26-17)28-20-13-15(3)11-12-23-20/h6-13,19,27H,4-5,14H2,1-3H3,(H,24,25)
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InChIKey
VTCADMPFZDCETP-UHFFFAOYSA-N
Physicochemical Property
logP
4.24262
Rotatable Bonds
8
Heavy Atom Count
28
Polar Areas
80.16
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
28

"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: 44443605
ChEMBL ID
CHEMBL249012
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
CL000016 IMR-32 Homo sapiens (Human)  1
1
Ki = 4688 nM
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