General Information of the Compound
Compound ID
CP0488198
Compound Name
N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-1H-indole-2-sulfonamide
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Structure
Formula
C23H23N3O2S
Molecular Weight
405.523
Canonical SMILES
CN(C)c1ccc(cc1)-c1ccc(CNS(=O)(=O)c2cc3ccccc3[nH]2)cc1
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InChI
InChI=1S/C23H23N3O2S/c1-26(2)21-13-11-19(12-14-21)18-9-7-17(8-10-18)16-24-29(27,28)23-15-20-5-3-4-6-22(20)25-23/h3-15,24-25H,16H2,1-2H3
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InChIKey
SSRVDRFFOMOPBV-UHFFFAOYSA-N
Physicochemical Property
logP
4.3794
Rotatable Bonds
6
Heavy Atom Count
29
Polar Areas
65.2
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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: 66546896
SID: 152139379
ChEMBL ID
CHEMBL4436256
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 = 3 nM
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