General Information of the Compound
Compound ID
CP0867292
Compound Name
(E/Z)-1-((1H-Indol-3-yl)methylene)-2-(4-(naphthalen-2-yl)thiazol-2-yl)hydrazine
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Structure
Formula
C22H16N4S
Molecular Weight
368.465
Canonical SMILES
C(=N/Nc1nc(-c2ccc3ccccc3c2)cs1)\c1c[nH]c2ccccc12
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InChI
InChI=1S/C22H16N4S/c1-2-6-16-11-17(10-9-15(16)5-1)21-14-27-22(25-21)26-24-13-18-12-23-20-8-4-3-7-19(18)20/h1-14,23H,(H,25,26)/b24-13+
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InChIKey
ZPXWGFIGGBRSLX-ZMOGYAJESA-N
Physicochemical Property
logP
5.8906
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
53.07
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
27

"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: 135719324
ChEMBL ID
CHEMBL3219194
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 = 2340 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 = 5990 nM
   TI
   LI
   LO
   TS