General Information of the Compound
Compound ID
CP0913482
Compound Name
(E/Z)-1-(5-Methyl-4-phenylthiazol-2-yl)-2-(1-(thiazol-2-yl)ethylidene)hydrazine
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Structure
Formula
C15H14N4S2
Molecular Weight
314.439
Canonical SMILES
C/C(=N\Nc1nc(-c2ccccc2)c(C)s1)c1nccs1
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InChI
InChI=1S/C15H14N4S2/c1-10(14-16-8-9-20-14)18-19-15-17-13(11(2)21-15)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,17,19)/b18-10+
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InChIKey
OFNUQVXNFPWOPV-VCHYOVAHSA-N
Physicochemical Property
logP
4.41112
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
50.17
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
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: 90666206
ChEMBL ID
CHEMBL3219200
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 = 6520 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 = 280 nM
   TI
   LI
   LO
   TS