General Information of the Compound
Compound ID
CP0399588
Compound Name
N-(cyclopropylmethyl)-3,6-dimethyl-5-(4-methylpyridin-2-yl)oxy-N-propylpyrazin-2-amine
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Structure
Formula
C19H26N4O
Molecular Weight
326.444
Canonical SMILES
CCCN(CC1CC1)c1nc(C)c(Oc2cc(C)ccn2)nc1C
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InChI
InChI=1S/C19H26N4O/c1-5-10-23(12-16-6-7-16)18-14(3)22-19(15(4)21-18)24-17-11-13(2)8-9-20-17/h8-9,11,16H,5-7,10,12H2,1-4H3
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InChIKey
WTNLDPKRAJDQIM-UHFFFAOYSA-N
Physicochemical Property
logP
4.21556
Rotatable Bonds
7
Heavy Atom Count
24
Polar Areas
51.14
Hydrogen Bond Donor Count
0
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: 44443572
ChEMBL ID
CHEMBL400155
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 = 1207 nM
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