General Information of the Compound
Compound ID
CP0570930
Compound Name
N-benzyl-N-ethyl-2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide
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Formula
C26H28N4O2
Molecular Weight
428.536
Canonical SMILES
CCN(Cc1ccccc1)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OC)cc1
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InChI
InChI=1S/C26H28N4O2/c1-5-29(17-20-9-7-6-8-10-20)24(31)16-23-25(21-11-13-22(32-4)14-12-21)28-30-19(3)15-18(2)27-26(23)30/h6-15H,5,16-17H2,1-4H3
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InChIKey
NCZNMTMZFUJSRV-UHFFFAOYSA-N
Physicochemical Property
logP
4.61294
Rotatable Bonds
7
Heavy Atom Count
32
Polar Areas
59.73
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
32

"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
CHEMBL4789235
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 = 6.2 nM
   TI
   LI
   LO
   TS
2
Ki = 80.6 nM
   TI
   LI
   LO
   TS