General Information of the Compound
Compound ID
CP0459412
Compound Name
N-(4-fluorophenyl)-5-(4-methylphenyl)-5-(2-morpholin-4-ylethyl)-3-phenyl-4H-pyrazole-1-carboxamide
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Structure
Formula
C29H31FN4O2
Molecular Weight
486.591
Canonical SMILES
Cc1ccc(cc1)C1(CCN2CCOCC2)CC(=NN1C(=O)Nc1ccc(F)cc1)c1ccccc1
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InChI
InChI=1S/C29H31FN4O2/c1-22-7-9-24(10-8-22)29(15-16-33-17-19-36-20-18-33)21-27(23-5-3-2-4-6-23)32-34(29)28(35)31-26-13-11-25(30)12-14-26/h2-14H,15-21H2,1H3,(H,31,35)
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InChIKey
WWQJGNLZPDECOJ-UHFFFAOYSA-N
Physicochemical Property
logP
5.39382
Rotatable Bonds
6
Heavy Atom Count
36
Polar Areas
57.17
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
36

"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: 134135105
ChEMBL ID
CHEMBL3902564
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 = 5900 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 = 430 nM
   TI
   LI
   LO
   TS