General Information of the Compound
Compound ID
CP0440855
Compound Name
2-N-(1,3-dimethoxypropan-2-yl)-3,6-diethyl-5-N-(4-methylpyridin-2-yl)pyrazine-2,5-diamine
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Structure
Formula
C19H29N5O2
Molecular Weight
359.474
Canonical SMILES
CCc1nc(Nc2cc(C)ccn2)c(CC)nc1NC(COC)COC
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InChI
InChI=1S/C19H29N5O2/c1-6-15-18(21-14(11-25-4)12-26-5)22-16(7-2)19(23-15)24-17-10-13(3)8-9-20-17/h8-10,14H,6-7,11-12H2,1-5H3,(H,21,22)(H,20,23,24)
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InChIKey
APLSMHUKAJIEEJ-UHFFFAOYSA-N
Physicochemical Property
logP
3.12172
Rotatable Bonds
10
Heavy Atom Count
26
Polar Areas
81.19
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
26

"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: 44443583
ChEMBL ID
CHEMBL400861
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 > 10000 nM
   TI
   LI
   LO
   TS