General Information of the Compound
Compound ID
CP0412202
Compound Name
2-[4-(dimethylamino)phenyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]acetamide
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Structure
Formula
C21H24N4O
Molecular Weight
348.45
Canonical SMILES
CN(C)c1ccc(CC(=O)Nc2ccn(Cc3ccccc3C)n2)cc1
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InChI
InChI=1S/C21H24N4O/c1-16-6-4-5-7-18(16)15-25-13-12-20(23-25)22-21(26)14-17-8-10-19(11-9-17)24(2)3/h4-13H,14-15H2,1-3H3,(H,22,23,26)
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InChIKey
UEBHJCIAVNNZEN-UHFFFAOYSA-N
Physicochemical Property
logP
3.48702
Rotatable Bonds
6
Heavy Atom Count
26
Polar Areas
50.16
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
26

"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: 145974511
ChEMBL ID
CHEMBL4217744
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 = 250 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 = 190 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 = 40 nM
   TI
   LI
   LO
   TS