General Information of the Compound
Compound ID
CP0480256
Compound Name
5-chloro-N-[[4-(2,4-difluorophenyl)phenyl]methyl]-1H-indole-2-sulfonamide
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Structure
Formula
C21H15ClF2N2O2S
Molecular Weight
432.879
Canonical SMILES
Fc1ccc(c(F)c1)-c1ccc(CNS(=O)(=O)c2cc3cc(Cl)ccc3[nH]2)cc1
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InChI
InChI=1S/C21H15ClF2N2O2S/c22-16-5-8-20-15(9-16)10-21(26-20)29(27,28)25-12-13-1-3-14(4-2-13)18-7-6-17(23)11-19(18)24/h1-11,25-26H,12H2
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InChIKey
HDOZXLRUUDIYEY-UHFFFAOYSA-N
Physicochemical Property
logP
5.245
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
61.96
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
29

"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: 66546526
SID: 152139013
ChEMBL ID
CHEMBL4462538
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 = 4 nM
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