General Information of the Compound
Compound ID
CP0868192
Compound Name
(E/Z)-1-(Furan-2-ylmethylene)-2-(4-(naphthalen-2-yl)thiazol-2-yl)hydrazine
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Structure
Formula
C18H13N3OS
Molecular Weight
319.389
Canonical SMILES
C(=N/Nc1nc(-c2ccc3ccccc3c2)cs1)\c1ccco1
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InChI
InChI=1S/C18H13N3OS/c1-2-5-14-10-15(8-7-13(14)4-1)17-12-23-18(20-17)21-19-11-16-6-3-9-22-16/h1-12H,(H,20,21)/b19-11+
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InChIKey
SPGJFNALSHFJSK-YBFXNURJSA-N
Physicochemical Property
logP
5.0023
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
50.42
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 9685369
ChEMBL ID
CHEMBL3218160
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: PT00918, Amine oxidase [flavin-containing] A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
IC50 = 2040 nM
   TI
   LI
   LO
   TS
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 = 2760 nM
   TI
   LI
   LO
   TS