General Information of the Compound
Compound ID
CP0467555
Compound Name
4-Chloro-N-(1,3,3-trimethyl-bicyclo[2.2.1]hept-2-yl)-benzenesulfonamide
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Structure
Formula
C16H22ClNO2S
Molecular Weight
327.877
Canonical SMILES
CC1(C)[C@H]2CCC(C)(C2)[C@H]1NS(=O)(=O)c1ccc(Cl)cc1
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InChI
InChI=1S/C16H22ClNO2S/c1-15(2)11-8-9-16(3,10-11)14(15)18-21(19,20)13-6-4-12(17)5-7-13/h4-7,11,14,18H,8-10H2,1-3H3/t11-,14-,16?/m0/s1
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InChIKey
YZIXMRTYAMXILP-XPFLZZBLSA-N
Physicochemical Property
logP
3.8331
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
46.17
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
21

"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: 44313421
ChEMBL ID
CHEMBL74874
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 = 11000 nM
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