General Information of the Compound
Compound ID
CP0524672
Compound Name
2-(4-chlorophenyl)-N'-(3,5-dichloropyridin-4-yl)acetohydrazide
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Structure
Formula
C13H10Cl3N3O
Molecular Weight
330.602
Canonical SMILES
Clc1ccc(CC(=O)NNc2c(Cl)cncc2Cl)cc1
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InChI
InChI=1S/C13H10Cl3N3O/c14-9-3-1-8(2-4-9)5-12(20)18-19-13-10(15)6-17-7-11(13)16/h1-4,6-7H,5H2,(H,17,19)(H,18,20)
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InChIKey
MJCJTADJIGTSHJ-UHFFFAOYSA-N
Physicochemical Property
logP
3.7276
Rotatable Bonds
4
Heavy Atom Count
20
Polar Areas
54.02
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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: 57412485
SID: 136970900
ChEMBL ID
CHEMBL2048265
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 = 620 nM
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