General Information of the Compound
Compound ID
CP0489786
Compound Name
N'-(2-methylphenyl)-1-phenylcyclopentane-1-carbohydrazide
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Structure
Formula
C19H22N2O
Molecular Weight
294.398
Canonical SMILES
Cc1ccccc1NNC(=O)C1(CCCC1)c1ccccc1
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InChI
InChI=1S/C19H22N2O/c1-15-9-5-6-12-17(15)20-21-18(22)19(13-7-8-14-19)16-10-3-2-4-11-16/h2-6,9-12,20H,7-8,13-14H2,1H3,(H,21,22)
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InChIKey
BOGLLVRKDUUUDG-UHFFFAOYSA-N
Physicochemical Property
logP
3.95012
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
41.13
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
22

"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: 11955880
SID: 17399834
ChEMBL ID
CHEMBL496087
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
CL000094 1321N1 Homo sapiens (Human)  1
1
IC50 = 131.83 nM
   TI
   LI
   LO
   TS
Protein ID: PT03917, P2X purinoceptor 7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000094 1321N1 Homo sapiens (Human)  1
1
IC50 = 151.36 nM
   TI
   LI
   LO
   TS