General Information of the Compound
Compound ID
CP0892908
Compound Name
(E/Z)-1-(Hex-5-en-2-ylidene)-2-(4-(naphthalen-2-yl)thiazol-2-yl)hydrazine
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Structure
Formula
C19H19N3S
Molecular Weight
321.449
Canonical SMILES
C=CCC/C(C)=N\Nc1nc(-c2ccc3ccccc3c2)cs1
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InChI
InChI=1S/C19H19N3S/c1-3-4-7-14(2)21-22-19-20-18(13-23-19)17-11-10-15-8-5-6-9-16(15)12-17/h3,5-6,8-13H,1,4,7H2,2H3,(H,20,22)/b21-14-
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InChIKey
GQHDUVSWDAFALF-STZFKDTASA-N
Physicochemical Property
logP
5.7173
Rotatable Bonds
6
Heavy Atom Count
23
Polar Areas
37.28
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 90665467
ChEMBL ID
CHEMBL3218130
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 = 1370 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 = 3940 nM
   TI
   LI
   LO
   TS