General Information of the Compound
Compound ID
CP0565116
Compound Name
5-(4-fluorophenyl)sulfonyl-2-[(1-hydroxycyclopropanecarbonyl)amino]thiophene-3-carboxamide
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Structure
Formula
C15H13FN2O5S2
Molecular Weight
384.41
Canonical SMILES
NC(=O)c1cc(sc1NC(=O)C1(O)CC1)S(=O)(=O)c1ccc(F)cc1
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InChI
InChI=1S/C15H13FN2O5S2/c16-8-1-3-9(4-2-8)25(22,23)11-7-10(12(17)19)13(24-11)18-14(20)15(21)5-6-15/h1-4,7,21H,5-6H2,(H2,17,19)(H,18,20)
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InChIKey
DDEMLRLUQJYHFQ-UHFFFAOYSA-N
Physicochemical Property
logP
1.2823
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
126.56
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Complexity
25

"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: 117774623
ChEMBL ID
CHEMBL4777140
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
CL000535 CFBE41o- Homo sapiens (Human)  1
1
EC50 = 79 nM
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