General Information of the Compound
Compound ID
CP0866579
Compound Name
(E/Z)-1-(5-Methyl-4-phenylthiazol-2-yl)-2-(1-(2H-2-oxo-chromen-3-yl)-ethylidene)hydrazine
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Structure
Formula
C20H15N3O2S
Molecular Weight
361.426
Canonical SMILES
Cc1sc(N/N=C/c2cc3ccccc3oc2=O)nc1-c1ccccc1
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InChI
InChI=1S/C20H15N3O2S/c1-13-18(14-7-3-2-4-8-14)22-20(26-13)23-21-12-16-11-15-9-5-6-10-17(15)25-19(16)24/h2-12H,1H3,(H,22,23)/b21-12+
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InChIKey
HLHCIFIRFRCERX-CIAFOILYSA-N
Physicochemical Property
logP
4.67092
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
67.49
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
26

"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: 90666391
ChEMBL ID
CHEMBL3219490
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 = 9180 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 = 3020 nM
   TI
   LI
   LO
   TS