General Information of the Compound
Compound ID
CP0935989
Compound Name
(E)-N'-(1-(4-bromophenyl)-2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethylidene)benzohydrazide
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Structure
Formula
C19H16BrN5O3
Molecular Weight
442.273
Canonical SMILES
Cc1ncc([N+](=O)[O-])n1C/C(=N/NC(=O)c1ccccc1)c1ccc(Br)cc1
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InChI
InChI=1S/C19H16BrN5O3/c1-13-21-11-18(25(27)28)24(13)12-17(14-7-9-16(20)10-8-14)22-23-19(26)15-5-3-2-4-6-15/h2-11H,12H2,1H3,(H,23,26)/b22-17-
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InChIKey
DKGNBDAVBAFVQB-XLNRJJMWSA-N
Physicochemical Property
logP
3.69652
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
102.42
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
28

"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: 72545791
ChEMBL ID
CHEMBL3088225
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 = 10020 nM
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