General Information of the Compound
Compound ID
CP0938119
Compound Name
1-(1-(Thiophen-2-yl)ethylidene)-2-(4-(2,4-difluorophenyl)thiazol-2-yl)hydrazine
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Structure
Formula
C15H11F2N3S2
Molecular Weight
335.404
Canonical SMILES
C/C(=N/Nc1nc(-c2ccc(F)cc2F)cs1)c1cccs1
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InChI
InChI=1S/C15H11F2N3S2/c1-9(14-3-2-6-21-14)19-20-15-18-13(8-22-15)11-5-4-10(16)7-12(11)17/h2-8H,1H3,(H,18,20)/b19-9-
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InChIKey
KVQJSAJPBLLLAA-OCKHKDLRSA-N
Physicochemical Property
logP
4.9859
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
37.28
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
22

"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: 71451198
ChEMBL ID
CHEMBL2151678
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: PT01362, Amine oxidase [flavin-containing] B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
IC50 = 3.01 nM
   TI
   LI
   LO
   TS