General Information of the Compound
Compound ID
CP0423072
Compound Name
4-methoxy-2-(2-methoxy-4,6-dimethylphenyl)-N,N,6-tripropylpyrimidin-5-amine
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Structure
Formula
C23H35N3O2
Molecular Weight
385.552
Canonical SMILES
CCCN(CCC)c1c(CCC)nc(nc1OC)-c1c(C)cc(C)cc1OC
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InChI
InChI=1S/C23H35N3O2/c1-8-11-18-21(26(12-9-2)13-10-3)23(28-7)25-22(24-18)20-17(5)14-16(4)15-19(20)27-6/h14-15H,8-13H2,1-7H3
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InChIKey
KJJUZSQBVDDVFS-UHFFFAOYSA-N
Physicochemical Property
logP
5.35654
Rotatable Bonds
10
Heavy Atom Count
28
Polar Areas
47.48
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
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: 44587373
ChEMBL ID
CHEMBL497287
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 = 76 nM
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