General Information of the Compound
Compound ID
CP0911254
Compound Name
1-(1-(Furan-2-yl)ethylidene)-2-(4-(4-nitrophenyl)thiazol-2-yl)hydrazine
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Structure
Formula
C15H12N4O3S
Molecular Weight
328.353
Canonical SMILES
C/C(=N/Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccco1
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InChI
InChI=1S/C15H12N4O3S/c1-10(14-3-2-8-22-14)17-18-15-16-13(9-23-15)11-4-6-12(7-5-11)19(20)21/h2-9H,1H3,(H,16,18)/b17-10-
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InChIKey
QRVVEJILAFFSBK-YVLHZVERSA-N
Physicochemical Property
logP
4.1474
Rotatable Bonds
5
Heavy Atom Count
23
Polar Areas
93.56
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
23

"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: 71460211
ChEMBL ID
CHEMBL2151553
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 = 3590 nM
   TI
   LI
   LO
   TS