General Information of the Compound
Compound ID
CP0482016
Compound Name
N-[(2-fluorophenyl)methyl]-1,5-diphenylpyrazole-3-carboxamide
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Structure
Formula
C23H18FN3O
Molecular Weight
371.415
Canonical SMILES
Fc1ccccc1CNC(=O)c1cc(-c2ccccc2)n(n1)-c1ccccc1
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InChI
InChI=1S/C23H18FN3O/c24-20-14-8-7-11-18(20)16-25-23(28)21-15-22(17-9-3-1-4-10-17)27(26-21)19-12-5-2-6-13-19/h1-15H,16H2,(H,25,28)
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InChIKey
WFHKRSAPXYZZQM-UHFFFAOYSA-N
Physicochemical Property
logP
4.6084
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
46.92
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
28

"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: 145977189
ChEMBL ID
CHEMBL4207469
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 = 130 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 = 1900 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