General Information of the Compound
Compound ID
CP0865121
Compound Name
N-(1-Benzyl-1H-pyrazol-3-yl)-2-m-tolyl-acetamide
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Structure
Formula
C19H19N3O
Molecular Weight
305.381
Canonical SMILES
Cc1cccc(CC(=O)Nc2ccn(Cc3ccccc3)n2)c1
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InChI
InChI=1S/C19H19N3O/c1-15-6-5-9-17(12-15)13-19(23)20-18-10-11-22(21-18)14-16-7-3-2-4-8-16/h2-12H,13-14H2,1H3,(H,20,21,23)
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InChIKey
FULCEVVWVMLPGO-UHFFFAOYSA-N
Physicochemical Property
logP
3.42102
Rotatable Bonds
5
Heavy Atom Count
23
Polar Areas
46.92
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
23

"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: 145977186
ChEMBL ID
CHEMBL4207290
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 = 54 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 = 1040 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 = 67 nM
   TI
   LI
   LO
   TS