General Information of the Compound
Compound ID
CP0886336
Compound Name
1-(Naphthalen-1-ylmethylene)-2-(4-(4-fluorophenyl)thiazol-2-yl)hydrazine
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Structure
Formula
C20H14FN3S
Molecular Weight
347.418
Canonical SMILES
Fc1ccc(-c2csc(N/N=C\c3cccc4ccccc34)n2)cc1
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InChI
InChI=1S/C20H14FN3S/c21-17-10-8-15(9-11-17)19-13-25-20(23-19)24-22-12-16-6-3-5-14-4-1-2-7-18(14)16/h1-13H,(H,23,24)/b22-12-
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InChIKey
HEOLULZKLUDOPG-UUYOSTAYSA-N
Physicochemical Property
logP
5.5484
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
37.28
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 24310989
ChEMBL ID
CHEMBL2151670
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 = 12820 nM
   TI
   LI
   LO
   TS