General Information of the Compound
Compound ID
CP0541157
Compound Name
6-chloro-2-cyclopropyl-5-methyl-N-propylpyrimidin-4-amine
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Structure
Formula
C11H16ClN3
Molecular Weight
225.723
Canonical SMILES
CCCNc1nc(nc(Cl)c1C)C1CC1
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InChI
InChI=1S/C11H16ClN3/c1-3-6-13-10-7(2)9(12)14-11(15-10)8-4-5-8/h8H,3-6H2,1-2H3,(H,13,14,15)
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InChIKey
YWNJZQBPACVEDC-UHFFFAOYSA-N
Physicochemical Property
logP
3.13772
Rotatable Bonds
4
Heavy Atom Count
15
Polar Areas
37.81
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
15

"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: 80970780
ChEMBL ID
CHEMBL3621548
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: PT01875, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000192 AD-293 Homo sapiens (Human)  1
1
Ki = 880 nM
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