General Information of the Compound
Compound ID
CP0524671
Compound Name
N'-(3,5-dichloropyridin-4-yl)-7-phenylheptanehydrazide
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Structure
Formula
C18H21Cl2N3O
Molecular Weight
366.292
Canonical SMILES
Clc1cncc(Cl)c1NNC(=O)CCCCCCc1ccccc1
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InChI
InChI=1S/C18H21Cl2N3O/c19-15-12-21-13-16(20)18(15)23-22-17(24)11-7-2-1-4-8-14-9-5-3-6-10-14/h3,5-6,9-10,12-13H,1-2,4,7-8,11H2,(H,21,23)(H,22,24)
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InChIKey
FSWISXOFRNLOMO-UHFFFAOYSA-N
Physicochemical Property
logP
5.0247
Rotatable Bonds
9
Heavy Atom Count
24
Polar Areas
54.02
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 57412569
SID: 136970987
ChEMBL ID
CHEMBL2048273
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 = 950 nM
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