General Information of the Compound
Compound ID
CP0567477
Compound Name
2-(cyclopenten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
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Structure
Formula
C11H19BO2
Molecular Weight
194.083
Canonical SMILES
CC1(C)OB(OC1(C)C)C1=CCCC1
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InChI
InChI=1S/C11H19BO2/c1-10(2)11(3,4)14-12(13-10)9-7-5-6-8-9/h7H,5-6,8H2,1-4H3
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InChIKey
JFTZVYKESKQING-UHFFFAOYSA-N
Physicochemical Property
logP
2.7281
Rotatable Bonds
1
Heavy Atom Count
14
Polar Areas
18.46
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
14

"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: 15486611
SID: 99238535
ChEMBL ID
CHEMBL4472623
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 = 31 nM
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