General Information of the Compound
Compound ID
CP0868191
Compound Name
(E/Z)-1-(4-(Naphthalen-2-yl)thiazol-2-yl)-2-(pyridin-3-ylmethylene)-hydrazine
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Structure
Formula
C19H14N4S
Molecular Weight
330.416
Canonical SMILES
C(=N/Nc1nc(-c2ccc3ccccc3c2)cs1)\c1cccnc1
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InChI
InChI=1S/C19H14N4S/c1-2-6-16-10-17(8-7-15(16)5-1)18-13-24-19(22-18)23-21-12-14-4-3-9-20-11-14/h1-13H,(H,22,23)/b21-12+
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InChIKey
GYARJLMMXUOVHO-CIAFOILYSA-N
Physicochemical Property
logP
4.8043
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
50.17
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
24

"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: 90665495
ChEMBL ID
CHEMBL3218166
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 = 2570 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 = 4760 nM
   TI
   LI
   LO
   TS