General Information of the Compound
Compound ID
CP0219388
Compound Name
CHEMBL4281588
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Formula
C16H10O3
Molecular Weight
250.253
Canonical SMILES
OC1=C(C(=O)c2ccccc2C1=O)c1ccccc1
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InChI
InChI=1S/C16H10O3/c17-14-11-8-4-5-9-12(11)15(18)16(19)13(14)10-6-2-1-3-7-10/h1-9,19H
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InChIKey
KUKDVSFMDRAXML-UHFFFAOYSA-N
Physicochemical Property
logP
3.0349
Rotatable Bonds
1
Heavy Atom Count
19
Polar Areas
54.37
Hydrogen Bond Donor Count
1
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
SID: 15985956
ChEMBL ID
CHEMBL4281588
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 = 22.4 nM
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