General Information of the Compound
Compound ID
CP0004437
Compound Name
N'-benzoyl-N-butyl-N'-tert-butylbenzohydrazide
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Structure
Formula
C22H28N2O2
Molecular Weight
352.478
Canonical SMILES
CCCCN(N(C(=O)c1ccccc1)C(C)(C)C)C(=O)c1ccccc1
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InChI
InChI=1S/C22H28N2O2/c1-5-6-17-23(20(25)18-13-9-7-10-14-18)24(22(2,3)4)21(26)19-15-11-8-12-16-19/h7-16H,5-6,17H2,1-4H3
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InChIKey
UAEUUVDILAMTKD-UHFFFAOYSA-N
Physicochemical Property
logP
4.7848
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
40.62
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
26

"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: 76320100
ChEMBL ID
CHEMBL2286716
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 > 100000 nM
   TI
   LI
   LO
   TS