General Information of the Compound
Compound ID
CP0575716
Compound Name
1-(2-methoxy-5-methylphenyl)-2-(4-methoxyphenyl)-N-(2-methylquinolin-5-yl)sulfonylcyclopropane-1-carboxamide
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Structure
Formula
C29H28N2O5S
Molecular Weight
516.619
Canonical SMILES
COc1ccc(cc1)C1CC1(C(=O)NS(=O)(=O)c1cccc2nc(C)ccc12)c1cc(C)ccc1OC
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InChI
InChI=1S/C29H28N2O5S/c1-18-8-15-26(36-4)23(16-18)29(17-24(29)20-10-12-21(35-3)13-11-20)28(32)31-37(33,34)27-7-5-6-25-22(27)14-9-19(2)30-25/h5-16,24H,17H2,1-4H3,(H,31,32)
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InChIKey
TYFUQPQYCCMPQF-UHFFFAOYSA-N
Physicochemical Property
logP
4.79924
Rotatable Bonds
7
Heavy Atom Count
37
Polar Areas
94.59
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
37

"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: 168274214
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: PT02042, Cystic fibrosis transmembrane conductance regulator
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000805 HBE1 Homo sapiens (Human)  1
1
EC50 = 0.66 nM
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