General Information of the Compound
Compound ID
CP0003996
Compound Name
N'-benzoyl-N'-(cyclohexylmethyl)benzohydrazide
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Structure
Formula
C21H24N2O2
Molecular Weight
336.435
Canonical SMILES
O=C(NN(CC1CCCCC1)C(=O)c1ccccc1)c1ccccc1
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InChI
InChI=1S/C21H24N2O2/c24-20(18-12-6-2-7-13-18)22-23(16-17-10-4-1-5-11-17)21(25)19-14-8-3-9-15-19/h2-3,6-9,12-15,17H,1,4-5,10-11,16H2,(H,22,24)
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InChIKey
QLFORKOADGIJGQ-UHFFFAOYSA-N
Physicochemical Property
logP
4.0541
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
49.41
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
25

"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: 19367968
ChEMBL ID
CHEMBL2286714
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 = 1698.24 nM
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