General Information of the Compound
Compound ID
CP0008167
Compound Name
N-tert-butyl-2-chloro-N'-(4-methoxybenzoyl)benzohydrazide
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Structure
Formula
C19H21ClN2O3
Molecular Weight
360.841
Canonical SMILES
COc1ccc(cc1)C(=O)NN(C(=O)c1ccccc1Cl)C(C)(C)C
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InChI
InChI=1S/C19H21ClN2O3/c1-19(2,3)22(18(24)15-7-5-6-8-16(15)20)21-17(23)13-9-11-14(25-4)12-10-13/h5-12H,1-4H3,(H,21,23)
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InChIKey
HZWPVJBGHRJKJJ-UHFFFAOYSA-N
Physicochemical Property
logP
3.9343
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
58.64
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 76320085
ChEMBL ID
CHEMBL2286429
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)  2
1
EC50 = 51.29 nM
   TI
   LI
   LO
   TS
2
EC50 = 134.9 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 = 338.84 nM
   TI
   LI
   LO
   TS