General Information of the Compound
Compound ID
CP0406465
Compound Name
N-[(2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]thiophene-2-sulfonamide
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Structure
Formula
C14H21NO2S2
Molecular Weight
299.461
Canonical SMILES
CC12CC[C@@H](C1)C(C)(C)[C@@H]2NS(=O)(=O)c1cccs1
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InChI
InChI=1S/C14H21NO2S2/c1-13(2)10-6-7-14(3,9-10)12(13)15-19(16,17)11-5-4-8-18-11/h4-5,8,10,12,15H,6-7,9H2,1-3H3/t10-,12-,14?/m0/s1
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InChIKey
HASOGSNYTRWIAH-RJXBTYEGSA-N
Physicochemical Property
logP
3.2412
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
46.17
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
19

"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: 44313381
ChEMBL ID
CHEMBL450926
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: PT01151, Amyloid-beta precursor protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 2700 nM
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