General Information of the Compound
Compound ID
CP0421240
Compound Name
N'-(2,5-dichlorophenyl)-2-hydroxy-2,2-bis(4-methylphenyl)acetohydrazide
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Structure
Formula
C22H20Cl2N2O2
Molecular Weight
415.32
Canonical SMILES
Cc1ccc(cc1)C(O)(C(=O)NNc1cc(Cl)ccc1Cl)c1ccc(C)cc1
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InChI
InChI=1S/C22H20Cl2N2O2/c1-14-3-7-16(8-4-14)22(28,17-9-5-15(2)6-10-17)21(27)26-25-20-13-18(23)11-12-19(20)24/h3-13,25,28H,1-2H3,(H,26,27)
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InChIKey
AOQQIAVAWKITHZ-UHFFFAOYSA-N
Physicochemical Property
logP
4.98944
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
61.36
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
28

"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: 3119749
ChEMBL ID
CHEMBL4544095
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: PT01132, Orexin receptor type 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  3
1
IC50 = 800 nM
   TI
   LI
   LO
   TS
2
Ki = 1300 nM
   TI
   LI
   LO
   TS
3
Ki = 1700 nM
   TI
   LI
   LO
   TS
Protein ID: PT02001, Orexin/Hypocretin receptor type 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  3
1
IC50 = 4800 nM
   TI
   LI
   LO
   TS
2
Ki = 2700 nM
   TI
   LI
   LO
   TS
3
Ki = 10300 nM
   TI
   LI
   LO
   TS