General Information of the Compound
Compound ID
CP0469497
Compound Name
N,3-bis(4-fluorophenyl)-5-methyl-3,4-dihydropyrazole-2-carboxamide
    Show/Hide
Structure
Formula
C17H15F2N3O
Molecular Weight
315.323
Canonical SMILES
CC1=NN(C(C1)c1ccc(F)cc1)C(=O)Nc1ccc(F)cc1
    Show/Hide
InChI
InChI=1S/C17H15F2N3O/c1-11-10-16(12-2-4-13(18)5-3-12)22(21-11)17(23)20-15-8-6-14(19)7-9-15/h2-9,16H,10H2,1H3,(H,20,23)
    Show/Hide
InChIKey
STMDEYYXKAEPPR-UHFFFAOYSA-N
Physicochemical Property
logP
4.3196
Rotatable Bonds
2
Heavy Atom Count
23
Polar Areas
44.7
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 134133106
ChEMBL ID
CHEMBL3911637
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: PT01102, Voltage-dependent L-type calcium channel subunit alpha-1C
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
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 = 900 nM
   TI
   LI
   LO
   TS