General Information of the Compound
Compound ID
CP0929112
Compound Name
1-(Pyridin-3-ylmethylene)-2-(4-(4-fluorophenyl)thiazol-2-yl)hydrazine
    Show/Hide
Structure
Formula
C15H11FN4S
Molecular Weight
298.346
Canonical SMILES
Fc1ccc(-c2csc(N/N=C\c3cccnc3)n2)cc1
    Show/Hide
InChI
InChI=1S/C15H11FN4S/c16-13-5-3-12(4-6-13)14-10-21-15(19-14)20-18-9-11-2-1-7-17-8-11/h1-10H,(H,19,20)/b18-9-
    Show/Hide
InChIKey
LIOAIXMNMXPOHI-NVMNQCDNSA-N
Physicochemical Property
logP
3.7902
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
50.17
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
21

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 24310986
ChEMBL ID
CHEMBL2151666
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 = 482.16 nM
   TI
   LI
   LO
   TS