General Information of the Compound
Compound ID
CP0008440
Compound Name
N'-tert-butyl-N'-(cyclohex-3-ene-1-carbonyl)-4-ethylbenzohydrazide
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Structure
Formula
C20H28N2O2
Molecular Weight
328.456
Canonical SMILES
CCc1ccc(cc1)C(=O)NN(C(=O)C1CCC=CC1)C(C)(C)C
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InChI
InChI=1S/C20H28N2O2/c1-5-15-11-13-16(14-12-15)18(23)21-22(20(2,3)4)19(24)17-9-7-6-8-10-17/h6-7,11-14,17H,5,8-10H2,1-4H3,(H,21,23)
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InChIKey
FSBGPDWQIFCUGJ-UHFFFAOYSA-N
Physicochemical Property
logP
3.8772
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
49.41
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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).

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PubChem ID
CID: 10664068
SID: 15696631
ChEMBL ID
CHEMBL2286704
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 = 1000 nM
   TI
   LI
   LO
   TS