General Information of the Compound
Compound ID
CP0566495
Compound Name
N'-(3,5-dichloropyridin-4-yl)-6-phenylhexanehydrazide
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Structure
Formula
C17H19Cl2N3O
Molecular Weight
352.265
Canonical SMILES
Clc1cncc(Cl)c1NNC(=O)CCCCCc1ccccc1
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InChI
InChI=1S/C17H19Cl2N3O/c18-14-11-20-12-15(19)17(14)22-21-16(23)10-6-2-5-9-13-7-3-1-4-8-13/h1,3-4,7-8,11-12H,2,5-6,9-10H2,(H,20,22)(H,21,23)
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InChIKey
KMDYSYPBWCIQPS-UHFFFAOYSA-N
Physicochemical Property
logP
4.6346
Rotatable Bonds
8
Heavy Atom Count
23
Polar Areas
54.02
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
23

"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: 57412568
SID: 136970986
ChEMBL ID
CHEMBL2048272
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 = 1900 nM
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