General Information of the Compound
Compound ID
CP0563568
Compound Name
5-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
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Structure
Formula
C15H17ClN4S
Molecular Weight
320.849
Canonical SMILES
Cc1nc2CCN(Cc2s1)c1nc(nc(Cl)c1C)C1CC1
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InChI
InChI=1S/C15H17ClN4S/c1-8-13(16)18-14(10-3-4-10)19-15(8)20-6-5-11-12(7-20)21-9(2)17-11/h10H,3-7H2,1-2H3
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InChIKey
DOQJCRPOHJESFY-UHFFFAOYSA-N
Physicochemical Property
logP
3.64344
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
41.91
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
21

"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: 122192112
ChEMBL ID
CHEMBL3622880
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 = 1300 nM
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