General Information of the Compound
Compound ID
CP0866582
Compound Name
(E/Z)-1-(1-Cyclohexylethylidene)-2-(5-methyl-4-phenylthiazol-2-yl)hydrazine
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Structure
Formula
C18H23N3S
Molecular Weight
313.47
Canonical SMILES
C/C(=N\Nc1nc(-c2ccccc2)c(C)s1)C1CCCCC1
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InChI
InChI=1S/C18H23N3S/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/h4,7-8,11-12,15H,3,5-6,9-10H2,1-2H3,(H,19,21)/b20-13+
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InChIKey
CNAWRUDGFWYNRF-DEDYPNTBSA-N
Physicochemical Property
logP
5.48662
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).

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PubChem ID
CID: 90666207
ChEMBL ID
CHEMBL3219201
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 = 7650 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 = 6140 nM
   TI
   LI
   LO
   TS