General Information of the Compound
Compound ID
CP0864778
Compound Name
(E/Z)-1-(5-Methyl-4-phenylthiazol-2-yl)-2-(1-phenylethylidene)hydrazine
    Show/Hide
Structure
Formula
C18H17N3S
Molecular Weight
307.422
Canonical SMILES
C/C(=N\Nc1nc(-c2ccccc2)c(C)s1)c1ccccc1
    Show/Hide
InChI
InChI=1S/C18H17N3S/c1-13(15-9-5-3-6-10-15)20-21-18-19-17(14(2)22-18)16-11-7-4-8-12-16/h3-12H,1-2H3,(H,19,21)/b20-13+
    Show/Hide
InChIKey
JGIYDDIAVKHADI-DEDYPNTBSA-N
Physicochemical Property
logP
4.95462
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
37.28
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
22

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 21240024
ChEMBL ID
CHEMBL3219202
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 = 2240 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 = 2230 nM
   TI
   LI
   LO
   TS