General Information of the Compound
Compound ID
CP0210703
Compound Name
N-cyclopropyl-N-[1-(2-methylsulfonylbenzoyl)piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide
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Structure
Formula
C23H25F3N2O5S2
Molecular Weight
530.59
Canonical SMILES
CS(=O)(=O)c1ccccc1C(=O)N1CCC(CC1)N(C1CC1)S(=O)(=O)c1cccc(c1)C(F)(F)F
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InChI
InChI=1S/C23H25F3N2O5S2/c1-34(30,31)21-8-3-2-7-20(21)22(29)27-13-11-18(12-14-27)28(17-9-10-17)35(32,33)19-6-4-5-16(15-19)23(24,25)26/h2-8,15,17-18H,9-14H2,1H3
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InChIKey
LICNHLYXAUMODF-UHFFFAOYSA-N
Physicochemical Property
logP
3.5668
Rotatable Bonds
6
Heavy Atom Count
35
Polar Areas
91.83
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
35

"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: 71457387
SID: 163506000
ChEMBL ID
CHEMBL2180902
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: PT02031, Voltage-dependent N-type calcium channel subunit alpha-1B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 660 nM
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