General Information of the Compound
Compound ID
CP0420957
Compound Name
N'-(3,5-dichloropyridin-4-yl)-1,2,3,4-tetrahydronaphthalene-2-carbohydrazide
    Show/Hide
Structure
Formula
C16H15Cl2N3O
Molecular Weight
336.222
Canonical SMILES
Clc1cncc(Cl)c1NNC(=O)C1CCc2ccccc2C1
    Show/Hide
InChI
InChI=1S/C16H15Cl2N3O/c17-13-8-19-9-14(18)15(13)20-21-16(22)12-6-5-10-3-1-2-4-11(10)7-12/h1-4,8-9,12H,5-7H2,(H,19,20)(H,21,22)
    Show/Hide
InChIKey
QXSYWWAPJZSTGM-UHFFFAOYSA-N
Physicochemical Property
logP
3.6366
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
54.02
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
22

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 57412662
SID: 136971075
ChEMBL ID
CHEMBL2048277
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 = 1100 nM
   TI
   LI
   LO
   TS