General Information of the Compound
Compound ID
CP0574316
Compound Name
4-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrido[3,2-b][1,4]thiazin-3-one
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Structure
Formula
C16H13F3N2OS
Molecular Weight
338.354
Canonical SMILES
CC(N1C(=O)CSc2cccnc12)c1cccc(c1)C(F)(F)F
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InChI
InChI=1S/C16H13F3N2OS/c1-10(11-4-2-5-12(8-11)16(17,18)19)21-14(22)9-23-13-6-3-7-20-15(13)21/h2-8,10H,9H2,1H3
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InChIKey
LRPBZJNZJSRNQB-UHFFFAOYSA-N
Physicochemical Property
logP
4.3003
Rotatable Bonds
2
Heavy Atom Count
23
Polar Areas
33.2
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
23

"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: 72704812
ChEMBL ID
CHEMBL3287210
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: PT00984, Intermediate conductance calcium-activated potassium channel protein 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 41 nM
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