General Information of the Compound
Compound ID
CP0570929
Compound Name
2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-dimethylacetamide
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Formula
C19H22N4O2
Molecular Weight
338.411
Canonical SMILES
COc1ccc(cc1)-c1nn2c(C)cc(C)nc2c1CC(=O)N(C)C
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InChI
InChI=1S/C19H22N4O2/c1-12-10-13(2)23-19(20-12)16(11-17(24)22(3)4)18(21-23)14-6-8-15(25-5)9-7-14/h6-10H,11H2,1-5H3
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InChIKey
JNMQHLAZCDUBIB-UHFFFAOYSA-N
Physicochemical Property
logP
2.65244
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
59.73
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
25

"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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ChEMBL ID
CHEMBL4753783
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: PT01817, Translocator protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  2
1
Ki = 337.9 nM
   TI
   LI
   LO
   TS
2
Ki = 559.8 nM
   TI
   LI
   LO
   TS