General Information of the Compound
Compound ID
CP0384901
Compound Name
6-chloro-2-cyclopropyl-5-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
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Structure
Formula
C13H15ClN4S
Molecular Weight
294.811
Canonical SMILES
Cc1csc(CNc2nc(nc(Cl)c2C)C2CC2)n1
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InChI
InChI=1S/C13H15ClN4S/c1-7-6-19-10(16-7)5-15-12-8(2)11(14)17-13(18-12)9-3-4-9/h6,9H,3-5H2,1-2H3,(H,15,17,18)
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InChIKey
YVTZJCDXRUYAKZ-UHFFFAOYSA-N
Physicochemical Property
logP
3.69284
Rotatable Bonds
4
Heavy Atom Count
19
Polar Areas
50.7
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
19

"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: 80972029
ChEMBL ID
CHEMBL3622890
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 = 6800 nM
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