General Information of the Compound
Compound ID
CP0481945
Compound Name
N-(1-benzylpyrazol-3-yl)-2-(4-methoxy-3-methylphenyl)acetamide
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Structure
Formula
C20H21N3O2
Molecular Weight
335.407
Canonical SMILES
COc1ccc(CC(=O)Nc2ccn(Cc3ccccc3)n2)cc1C
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InChI
InChI=1S/C20H21N3O2/c1-15-12-17(8-9-18(15)25-2)13-20(24)21-19-10-11-23(22-19)14-16-6-4-3-5-7-16/h3-12H,13-14H2,1-2H3,(H,21,22,24)
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InChIKey
LLTSNWMQBSNMLG-UHFFFAOYSA-N
Physicochemical Property
logP
3.42962
Rotatable Bonds
6
Heavy Atom Count
25
Polar Areas
56.15
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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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PubChem ID
CID: 145965167
ChEMBL ID
CHEMBL4209075
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: PT03095, Voltage-dependent T-type calcium channel subunit alpha-1G
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 11 nM
   TI
   LI
   LO
   TS
Protein ID: PT04557, Voltage-dependent T-type calcium channel subunit alpha-1H
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 57 nM
   TI
   LI
   LO
   TS
Protein ID: PT02881, Voltage-dependent T-type calcium channel subunit alpha-1I
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 6.5 nM
   TI
   LI
   LO
   TS