General Information of the Compound
Compound ID
CP0452073
Compound Name
N'-tert-butyl-N'-(2-chlorobenzoyl)-2-phenylbenzohydrazide
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Structure
Formula
C24H23ClN2O2
Molecular Weight
406.913
Canonical SMILES
CC(C)(C)N(NC(=O)c1ccccc1-c1ccccc1)C(=O)c1ccccc1Cl
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InChI
InChI=1S/C24H23ClN2O2/c1-24(2,3)27(23(29)20-15-9-10-16-21(20)25)26-22(28)19-14-8-7-13-18(19)17-11-5-4-6-12-17/h4-16H,1-3H3,(H,26,28)
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InChIKey
KFIUZCHOVCHEJT-UHFFFAOYSA-N
Physicochemical Property
logP
5.5927
Rotatable Bonds
3
Heavy Atom Count
29
Polar Areas
49.41
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
29

"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: 127048633
ChEMBL ID
CHEMBL3814102
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: PT01546, ATP-dependent translocase ABCB1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000089 LLC-GA5-CoL150 Sus scrofa (Pig)  1
1
IC50 = 12500 nM
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