General Information of the Compound
Compound ID
CP0851955
Compound Name
1-(4-Chlorobenzylidene)-2-[4-(4-fluorophenyl)thiazol-2-yl]hydrazine
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Structure
Formula
C16H11ClFN3S
Molecular Weight
331.803
Canonical SMILES
Fc1ccc(-c2csc(N/N=C/c3ccc(Cl)cc3)n2)cc1
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InChI
InChI=1S/C16H11ClFN3S/c17-13-5-1-11(2-6-13)9-19-21-16-20-15(10-22-16)12-3-7-14(18)8-4-12/h1-10H,(H,20,21)/b19-9+
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InChIKey
HQMQRYDTESVACP-DJKKODMXSA-N
Physicochemical Property
logP
5.0486
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: 9582690
ChEMBL ID
CHEMBL1934040
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 = 1320 nM
   TI
   LI
   LO
   TS