General Information of the Compound
Compound ID
CP0541826
Compound Name
6-chloro-2-cyclopropyl-5-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
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Structure
Formula
C14H15ClN4
Molecular Weight
274.755
Canonical SMILES
Cc1c(Cl)nc(nc1NCc1ccncc1)C1CC1
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InChI
InChI=1S/C14H15ClN4/c1-9-12(15)18-14(11-2-3-11)19-13(9)17-8-10-4-6-16-7-5-10/h4-7,11H,2-3,8H2,1H3,(H,17,18,19)
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InChIKey
OOKYNEKWJWFBIG-UHFFFAOYSA-N
Physicochemical Property
logP
3.32292
Rotatable Bonds
4
Heavy Atom Count
19
Polar Areas
50.7
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 80971247
ChEMBL ID
CHEMBL3621554
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 = 200 nM
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