General Information of the Compound
Compound ID
CP0481950
Compound Name
N-(1-benzylpyrazol-3-yl)-2-(4-propan-2-ylphenyl)acetamide
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Structure
Formula
C21H23N3O
Molecular Weight
333.435
Canonical SMILES
CC(C)c1ccc(CC(=O)Nc2ccn(Cc3ccccc3)n2)cc1
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InChI
InChI=1S/C21H23N3O/c1-16(2)19-10-8-17(9-11-19)14-21(25)22-20-12-13-24(23-20)15-18-6-4-3-5-7-18/h3-13,16H,14-15H2,1-2H3,(H,22,23,25)
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InChIKey
JZQCGQXYCJPQBB-UHFFFAOYSA-N
Physicochemical Property
logP
4.236
Rotatable Bonds
6
Heavy Atom Count
25
Polar Areas
46.92
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 145968953
ChEMBL ID
CHEMBL4218617
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 = 5.1 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 = 23 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 = 7.6 nM
   TI
   LI
   LO
   TS