General Information of the Compound
Compound ID
CP0464662
Compound Name
3,6-diethyl-N2-(6-methylpyridin-2-yl)-N5-(pentan-3-yl)pyrazine-2,5-diamine
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Structure
Formula
C19H29N5
Molecular Weight
327.476
Canonical SMILES
CCC(CC)Nc1nc(CC)c(Nc2cccc(C)n2)nc1CC
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InChI
InChI=1S/C19H29N5/c1-6-14(7-2)21-18-15(8-3)23-19(16(9-4)22-18)24-17-12-10-11-13(5)20-17/h10-12,14H,6-9H2,1-5H3,(H,21,22)(H,20,23,24)
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InChIKey
NHLUIFIKRDTBRC-UHFFFAOYSA-N
Physicochemical Property
logP
4.64892
Rotatable Bonds
8
Heavy Atom Count
24
Polar Areas
62.73
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
24

"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: 44443578
ChEMBL ID
CHEMBL400531
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 = 3382 nM
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