General Information of the Compound
Compound ID
CP0423398
Compound Name
N'-(3,5-dichloropyridin-4-yl)-3-(4-fluorophenyl)propanehydrazide
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Structure
Formula
C14H12Cl2FN3O
Molecular Weight
328.174
Canonical SMILES
Fc1ccc(CCC(=O)NNc2c(Cl)cncc2Cl)cc1
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InChI
InChI=1S/C14H12Cl2FN3O/c15-11-7-18-8-12(16)14(11)20-19-13(21)6-3-9-1-4-10(17)5-2-9/h1-2,4-5,7-8H,3,6H2,(H,18,20)(H,19,21)
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InChIKey
OPJYGLHTRLBCBL-UHFFFAOYSA-N
Physicochemical Property
logP
3.6034
Rotatable Bonds
5
Heavy Atom Count
21
Polar Areas
54.02
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
21

"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: 57412481
SID: 136970896
ChEMBL ID
CHEMBL2048261
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 = 900 nM
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