General Information of the Compound
Compound ID
CP0534135
Compound Name
N,N-dimethyl-3-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,3,4-tetrahydrocarbazol-9-yl]propane-1-sulfonamide
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Structure
Formula
C20H26N4O3S
Molecular Weight
402.52
Canonical SMILES
CN(C)S(=O)(=O)CCCn1c2CCCCc2c2cc(ccc12)-c1nc(C)no1
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InChI
InChI=1S/C20H26N4O3S/c1-14-21-20(27-22-14)15-9-10-19-17(13-15)16-7-4-5-8-18(16)24(19)11-6-12-28(25,26)23(2)3/h9-10,13H,4-8,11-12H2,1-3H3
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InChIKey
ZJOQIDPRFYDEQL-UHFFFAOYSA-N
Physicochemical Property
logP
3.16002
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
81.23
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
28

"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: 62707571
SID: 148139240
ChEMBL ID
CHEMBL2179502
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: PT06441, Scavenger receptor class B member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000148 Huh-7 Homo sapiens (Human)  1
1
IC50 = 1.5 nM
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