General Information of the Compound
Compound ID
CP0001247
Compound Name
N'-benzoyl-N'-(2-methylpropyl)benzohydrazide
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Structure
Formula
C18H20N2O2
Molecular Weight
296.37
Canonical SMILES
CC(C)CN(NC(=O)c1ccccc1)C(=O)c1ccccc1
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InChI
InChI=1S/C18H20N2O2/c1-14(2)13-20(18(22)16-11-7-4-8-12-16)19-17(21)15-9-5-3-6-10-15/h3-12,14H,13H2,1-2H3,(H,19,21)
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InChIKey
QMTKSVAVRGIHOB-UHFFFAOYSA-N
Physicochemical Property
logP
3.1298
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
49.41
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
22

"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: 20075177
ChEMBL ID
CHEMBL2286712
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: PT06098, Ecdysone receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000933 Bm5 Bombyx mori (Silk moth)  1
1
EC50 = 2884.03 nM
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