General Information of the Compound
Compound ID
CP0866583
Compound Name
(E/Z)-1-((1H-Indol-3-yl)methylene)-2-(5-methyl-4-phenylthiazol-2-yl)hydrazine
    Show/Hide
Structure
Formula
C19H16N4S
Molecular Weight
332.432
Canonical SMILES
Cc1sc(N/N=C/c2c[nH]c3ccccc23)nc1-c1ccccc1
    Show/Hide
InChI
InChI=1S/C19H16N4S/c1-13-18(14-7-3-2-4-8-14)22-19(24-13)23-21-12-15-11-20-17-10-6-5-9-16(15)17/h2-12,20H,1H3,(H,22,23)/b21-12+
    Show/Hide
InChIKey
CNXAYUYXNKGHLH-CIAFOILYSA-N
Physicochemical Property
logP
5.04582
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
53.07
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
24

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 135719318
ChEMBL ID
CHEMBL3219206
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 = 3120 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 = 1400 nM
   TI
   LI
   LO
   TS