General Information of the Compound
Compound ID
CP0963653
Compound Name
1-(2-(4-fluorophenoxy)acetyl)-N-(1,2,4-thiadiazol-5-yl)indoline-5-sulfonamide
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Structure
Formula
C18H15FN4O4S2
Molecular Weight
434.474
Canonical SMILES
O=C(COc1ccc(F)cc1)N1CCc2cc(S(=O)(=O)Nc3ncns3)ccc21
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InChI
InChI=1S/C18H15FN4O4S2/c19-13-1-3-14(4-2-13)27-10-17(24)23-8-7-12-9-15(5-6-16(12)23)29(25,26)22-18-20-11-21-28-18/h1-6,9,11H,7-8,10H2,(H,20,21,22)
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InChIKey
KFTDFBZIXWQSEU-UHFFFAOYSA-N
Physicochemical Property
logP
2.4461
Rotatable Bonds
6
Heavy Atom Count
29
Polar Areas
101.49
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
29

"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: 59432866
ChEMBL ID
CHEMBL4287462
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: PT03042, Sodium channel protein type 3 subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 1273 nM
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