General Information of the Compound
Compound ID
CP0380205
Compound Name
N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2,3-dimethylbenzohydrazide
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Structure
Formula
C22H28N2O2
Molecular Weight
352.478
Canonical SMILES
Cc1cc(C)cc(c1)C(=O)N(NC(=O)c1cccc(C)c1C)C(C)(C)C
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InChI
InChI=1S/C22H28N2O2/c1-14-11-15(2)13-18(12-14)21(26)24(22(5,6)7)23-20(25)19-10-8-9-16(3)17(19)4/h8-13H,1-7H3,(H,23,25)
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InChIKey
RSLMFTSJRXSAOA-UHFFFAOYSA-N
Physicochemical Property
logP
4.50598
Rotatable Bonds
2
Heavy Atom Count
26
Polar Areas
49.41
Hydrogen Bond Donor Count
1
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: 15766635
ChEMBL ID
CHEMBL2228849
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 = 10.96 nM
   TI
   LI
   LO
   TS
Protein ID: PT00632, Ecdysone receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000090 Schneider 2 Drosophila melanogaster (Fruit fly)  1
1
EC50 = 16.22 nM
   TI
   LI
   LO
   TS