General Information of the Compound
Compound ID
CP0537113
Compound Name
3-cyclopentyl-N'-(3,5-dichloropyridin-4-yl)propanehydrazide
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Structure
Formula
C13H17Cl2N3O
Molecular Weight
302.205
Canonical SMILES
Clc1cncc(Cl)c1NNC(=O)CCC1CCCC1
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InChI
InChI=1S/C13H17Cl2N3O/c14-10-7-16-8-11(15)13(10)18-17-12(19)6-5-9-3-1-2-4-9/h7-9H,1-6H2,(H,16,18)(H,17,19)
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InChIKey
VXIOVGIXMXTFHW-UHFFFAOYSA-N
Physicochemical Property
logP
3.8019
Rotatable Bonds
5
Heavy Atom Count
19
Polar Areas
54.02
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
19

"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: 57412745
SID: 136971157
ChEMBL ID
CHEMBL2048284
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 = 380 nM
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