General Information of the Compound
Compound ID
CP0896594
Compound Name
1-(Furan-2-ylmethylene)-2-(4-(4-fluorophenyl)thiazol-2-yl)hydrazine
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Structure
Formula
C14H10FN3OS
Molecular Weight
287.319
Canonical SMILES
Fc1ccc(-c2csc(N/N=C\c3ccco3)n2)cc1
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InChI
InChI=1S/C14H10FN3OS/c15-11-5-3-10(4-6-11)13-9-20-14(17-13)18-16-8-12-2-1-7-19-12/h1-9H,(H,17,18)/b16-8-
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InChIKey
KQJYYYWXQZUJJW-PXNMLYILSA-N
Physicochemical Property
logP
3.9882
Rotatable Bonds
4
Heavy Atom Count
20
Polar Areas
50.42
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
20

"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: 5391301
ChEMBL ID
CHEMBL2151568
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 = 652.8 nM
   TI
   LI
   LO
   TS