General Information of the Compound
Compound ID
CP0483098
Compound Name
N-(1-benzylpyrazol-3-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
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Structure
Formula
C21H21N3O2
Molecular Weight
347.418
Canonical SMILES
COc1ccc(cc1)C1(CC1)C(=O)Nc1ccn(Cc2ccccc2)n1
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InChI
InChI=1S/C21H21N3O2/c1-26-18-9-7-17(8-10-18)21(12-13-21)20(25)22-19-11-14-24(23-19)15-16-5-3-2-4-6-16/h2-11,14H,12-13,15H2,1H3,(H,22,23,25)
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InChIKey
IVCTYJMTUDZZID-UHFFFAOYSA-N
Physicochemical Property
logP
3.6103
Rotatable Bonds
6
Heavy Atom Count
26
Polar Areas
56.15
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: 145974480
ChEMBL ID
CHEMBL4217085
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 = 920 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 = 2100 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 = 1700 nM
   TI
   LI
   LO
   TS