General Information of the Compound
Compound ID
CP0453241
Compound Name
1-(5-(dipropylamino)-6-methoxy-2-(2-methoxy-4,6-dimethylphenyl)pyrimidin-4-yl)-2-methylpropan-2-ol
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Structure
Formula
C24H37N3O3
Molecular Weight
415.578
Canonical SMILES
CCCN(CCC)c1c(CC(C)(C)O)nc(nc1OC)-c1c(C)cc(C)cc1OC
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InChI
InChI=1S/C24H37N3O3/c1-9-11-27(12-10-2)21-18(15-24(5,6)28)25-22(26-23(21)30-8)20-17(4)13-16(3)14-19(20)29-7/h13-14,28H,9-12,15H2,1-8H3
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InChIKey
RKJPFEPBPFJHOG-UHFFFAOYSA-N
Physicochemical Property
logP
4.71744
Rotatable Bonds
10
Heavy Atom Count
30
Polar Areas
67.71
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
30

"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: 44587454
ChEMBL ID
CHEMBL523074
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 = 604 nM
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