General Information of the Compound
Compound ID
CP0889405
Compound Name
1-(Pyridin-3-ylmethylene)-2-(4-(2,4-difluorophenyl)thiazol-2-yl)hydrazine
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Structure
Formula
C15H10F2N4S
Molecular Weight
316.336
Canonical SMILES
Fc1ccc(-c2csc(N/N=C\c3cccnc3)n2)c(F)c1
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InChI
InChI=1S/C15H10F2N4S/c16-11-3-4-12(13(17)6-11)14-9-22-15(20-14)21-19-8-10-2-1-5-18-7-10/h1-9H,(H,20,21)/b19-8-
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InChIKey
BUVQFKIFNDUNJD-UWVJOHFNSA-N
Physicochemical Property
logP
3.9293
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
50.17
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 71449402
ChEMBL ID
CHEMBL2151682
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)  1
1
IC50 = 198.5 nM
   TI
   LI
   LO
   TS