General Information of the Compound
Compound ID
CP0849584
Compound Name
1-(2-Methylbenzylidene)-2-[4-(4-fluorophenyl)thiazol-2-yl]hydrazine
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Structure
Formula
C17H14FN3S
Molecular Weight
311.385
Canonical SMILES
Cc1ccccc1/C=N/Nc1nc(-c2ccc(F)cc2)cs1
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InChI
InChI=1S/C17H14FN3S/c1-12-4-2-3-5-14(12)10-19-21-17-20-16(11-22-17)13-6-8-15(18)9-7-13/h2-11H,1H3,(H,20,21)/b19-10+
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InChIKey
DVBPMDURNYTGNQ-VXLYETTFSA-N
Physicochemical Property
logP
4.70362
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: 24320647
SID: 136330310
ChEMBL ID
CHEMBL1934043
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 = 190 nM
   TI
   LI
   LO
   TS