General Information of the Compound
Compound ID
CP0939806
Compound Name
(Z)-2-((E)-1,3-diphenylallylidene)hydrazinecarbothioamide
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Structure
Formula
C16H15N3S
Molecular Weight
281.384
Canonical SMILES
NC(=S)N/N=C(/C=C/c1ccccc1)c1ccccc1
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InChI
InChI=1S/C16H15N3S/c17-16(20)19-18-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H,(H3,17,19,20)/b12-11+,18-15-
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InChIKey
ZYBFBSIRRZYCDS-YIKZKUGMSA-N
Physicochemical Property
logP
2.9373
Rotatable Bonds
4
Heavy Atom Count
20
Polar Areas
50.41
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
20

"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: 54768954
SID: 131533627
ChEMBL ID
CHEMBL1830272
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: PT00922, Epidermal growth factor receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 2380 nM
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