General Information of the Compound
Compound ID
CP0384993
Compound Name
6-chloro-2-cyclopropyl-N,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidin-4-amine
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Structure
Formula
C14H17ClN4O
Molecular Weight
292.77
Canonical SMILES
CN(Cc1cc(C)no1)c1nc(nc(Cl)c1C)C1CC1
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InChI
InChI=1S/C14H17ClN4O/c1-8-6-11(20-18-8)7-19(3)14-9(2)12(15)16-13(17-14)10-4-5-10/h6,10H,4-5,7H2,1-3H3
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InChIKey
LEGVBLYCCGMURR-UHFFFAOYSA-N
Physicochemical Property
logP
3.24864
Rotatable Bonds
4
Heavy Atom Count
20
Polar Areas
55.05
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
20

"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: 122192111
ChEMBL ID
CHEMBL3622878
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 = 540 nM
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