General Information of the Compound
Compound ID
CP0446967
Compound Name
N'-(3,5-dichloropyridin-4-yl)-3-(4-methylphenyl)propanehydrazide
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Structure
Formula
C15H15Cl2N3O
Molecular Weight
324.211
Canonical SMILES
Cc1ccc(CCC(=O)NNc2c(Cl)cncc2Cl)cc1
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InChI
InChI=1S/C15H15Cl2N3O/c1-10-2-4-11(5-3-10)6-7-14(21)19-20-15-12(16)8-18-9-13(15)17/h2-5,8-9H,6-7H2,1H3,(H,18,20)(H,19,21)
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InChIKey
CKRCHKSNJGMEJC-UHFFFAOYSA-N
Physicochemical Property
logP
3.77272
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: 57412483
SID: 136970898
ChEMBL ID
CHEMBL2048263
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 = 1400 nM
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