General Information of the Compound
Compound ID
CP0494036
Compound Name
N'-(2,6-dichlorophenyl)-3-phenylpropanehydrazide
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Structure
Formula
C15H14Cl2N2O
Molecular Weight
309.196
Canonical SMILES
Clc1cccc(Cl)c1NNC(=O)CCc1ccccc1
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InChI
InChI=1S/C15H14Cl2N2O/c16-12-7-4-8-13(17)15(12)19-18-14(20)10-9-11-5-2-1-3-6-11/h1-8,19H,9-10H2,(H,18,20)
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InChIKey
KTPUFDSFXSMJFC-UHFFFAOYSA-N
Physicochemical Property
logP
4.0693
Rotatable Bonds
5
Heavy Atom Count
20
Polar Areas
41.13
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
20

"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: 2812882
SID: 136971250
ChEMBL ID
CHEMBL2048257
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: PT01449, P2X purinoceptor 7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 1400 nM
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