General Information of the Compound
Compound ID
CP0907535
Compound Name
(E/Z)-1-(5-Methyl-4-phenylthiazol-2-yl)-2-(3-methylcyclohexylidene)hydrazine
    Show/Hide
Structure
Formula
C17H21N3S
Molecular Weight
299.443
Canonical SMILES
Cc1sc(N/N=C2\CCCC(C)C2)nc1-c1ccccc1
    Show/Hide
InChI
InChI=1S/C17H21N3S/c1-12-7-6-10-15(11-12)19-20-17-18-16(13(2)21-17)14-8-4-3-5-9-14/h3-5,8-9,12H,6-7,10-11H2,1-2H3,(H,18,20)/b19-15+
    Show/Hide
InChIKey
SYRPKNBLSMVAIF-XDJHFCHBSA-N
Physicochemical Property
logP
5.09652
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
37.28
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
21

"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: 90665487
ChEMBL ID
CHEMBL3218156
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 = 3630 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 = 2880 nM
   TI
   LI
   LO
   TS