General Information of the Compound
Compound ID
CP0859511
Compound Name
(E/Z)-1-(Benzodioxol-5-ylmethylene)-2-(4-(naphthalen-2-yl)thiazol-2-yl)hydrazine
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Structure
Formula
C21H15N3O2S
Molecular Weight
373.437
Canonical SMILES
C(=N/Nc1nc(-c2ccc3ccccc3c2)cs1)\c1ccc2c(c1)OCO2
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InChI
InChI=1S/C21H15N3O2S/c1-2-4-16-10-17(7-6-15(16)3-1)18-12-27-21(23-18)24-22-11-14-5-8-19-20(9-14)26-13-25-19/h1-12H,13H2,(H,23,24)/b22-11+
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InChIKey
CVLYIRLZWDZLKL-SSDVNMTOSA-N
Physicochemical Property
logP
5.138
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
55.74
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
27

"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: 90665497
ChEMBL ID
CHEMBL3218168
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 = 5920 nM
   TI
   LI
   LO
   TS