General Information of the Compound
Compound ID
CP0859512
Compound Name
(E/Z)-1-(5-Methyl-4-phenylthiazol-2-yl)-2-(pentan-2-ylidene)hydrazine
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Structure
Formula
C15H19N3S
Molecular Weight
273.405
Canonical SMILES
CCC/C(C)=N\Nc1nc(-c2ccccc2)c(C)s1
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InChI
InChI=1S/C15H19N3S/c1-4-8-11(2)17-18-15-16-14(12(3)19-15)13-9-6-5-7-10-13/h5-7,9-10H,4,8H2,1-3H3,(H,16,18)/b17-11-
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InChIKey
COIFUMZLOIGSKV-BOPFTXTBSA-N
Physicochemical Property
logP
4.70642
Rotatable Bonds
5
Heavy Atom Count
19
Polar Areas
37.28
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
19

"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: 90665471
ChEMBL ID
CHEMBL3218135
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 = 2520 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 = 2310 nM
   TI
   LI
   LO
   TS