General Information of the Compound
Compound ID
CP0538719
Compound Name
3,6-diethyl-N-(2-methyl-1-phenylpropyl)-5-(4-methylpyridin-2-yloxy)pyrazin-2-amine
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Structure
Formula
C24H30N4O
Molecular Weight
390.531
Canonical SMILES
CCc1nc(Oc2cc(C)ccn2)c(CC)nc1NC(C(C)C)c1ccccc1
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InChI
InChI=1S/C24H30N4O/c1-6-19-23(28-22(16(3)4)18-11-9-8-10-12-18)26-20(7-2)24(27-19)29-21-15-17(5)13-14-25-21/h8-16,22H,6-7H2,1-5H3,(H,26,28)
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InChIKey
OVYMAROKNXYMIK-UHFFFAOYSA-N
Physicochemical Property
logP
5.90632
Rotatable Bonds
8
Heavy Atom Count
29
Polar Areas
59.93
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
29

"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: 44443595
ChEMBL ID
CHEMBL449657
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 = 530 nM
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