General Information of the Compound
Compound ID
CP0845598
Compound Name
1-(2-methylcyclohexylidene)-2-(4-p-tolylthiazol-2-yl)hydrazine
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Structure
Formula
C17H21N3S
Molecular Weight
299.443
Canonical SMILES
Cc1ccc(-c2csc(N/N=C3\CCCCC3C)n2)cc1
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InChI
InChI=1S/C17H21N3S/c1-12-7-9-14(10-8-12)16-11-21-17(18-16)20-19-15-6-4-3-5-13(15)2/h7-11,13H,3-6H2,1-2H3,(H,18,20)/b19-15+
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InChIKey
OPFWPVHEWFRTHC-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).

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PubChem ID
CID: 44442378
ChEMBL ID
CHEMBL246813
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: 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)  2
1
IC50 = 142 nM
   TI
   LI
   LO
   TS
2
IC50 = 143 nM
   TI
   LI
   LO
   TS