General Information of the Compound
Compound ID
CP0482011
Compound Name
N-benzyl-1,5-diphenylpyrazole-3-carboxamide
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Structure
Formula
C23H19N3O
Molecular Weight
353.425
Canonical SMILES
O=C(NCc1ccccc1)c1cc(-c2ccccc2)n(n1)-c1ccccc1
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InChI
InChI=1S/C23H19N3O/c27-23(24-17-18-10-4-1-5-11-18)21-16-22(19-12-6-2-7-13-19)26(25-21)20-14-8-3-9-15-20/h1-16H,17H2,(H,24,27)
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InChIKey
CESMOMPXHHFYKN-UHFFFAOYSA-N
Physicochemical Property
logP
4.4693
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
46.92
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
27

"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: 145973300
ChEMBL ID
CHEMBL4216796
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 = 200 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 = 510 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 > 10000 nM
   TI
   LI
   LO
   TS