General Information of the Compound
Compound ID
CP0482960
Compound Name
5-chloro-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-1H-indole-2-sulfonamide
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Structure
Formula
C22H19ClN2O4S2
Molecular Weight
474.991
Canonical SMILES
CS(=O)(=O)c1ccc(cc1)-c1ccc(CNS(=O)(=O)c2cc3cc(Cl)ccc3[nH]2)cc1
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InChI
InChI=1S/C22H19ClN2O4S2/c1-30(26,27)20-9-6-17(7-10-20)16-4-2-15(3-5-16)14-24-31(28,29)22-13-18-12-19(23)8-11-21(18)25-22/h2-13,24-25H,14H2,1H3
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InChIKey
BZCMUSNKWOWWJI-UHFFFAOYSA-N
Physicochemical Property
logP
4.3703
Rotatable Bonds
6
Heavy Atom Count
31
Polar Areas
96.1
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
31

"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: 66546337
SID: 152138829
ChEMBL ID
CHEMBL4526334
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: PT01298, Cannabinoid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 15 nM
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