General Information of the Compound
Compound ID
CP0159902
Compound Name
2-Phenyl-1,3-indandione
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Synonyms
2 Phenyl 1,3 indandione
2-Fenyloindandion-1,3
2-Fenyloindandion-1,3 [Polish]
2-Phenyl-1,3-diketohydrindene
2-Phenyl-1,3-indandione
2-Phenyl-1,3-indanedione
2-Phenyl-1H-indene-1,3(2H)-dione
2-Phenylindan-1,3-dione
2-Phenylindandione
2-phenyl-1,3(2H)-Indenedione
2-phenyl-2,3-dihydro-1H-indene-1,3-dione
2-phenylindene-1,3-dione
Athrombon
Bindan
Boots Brand of Phenindione
Cronodione
Danedion
Danilon
Danilone
Diadilan
Dindevan
Dineval
Diophindane
Emandion
Emandione
Eridione
Fenhydren
Fenilin
Fenindion
Fenindiona
Fenindiona [INN-Spanish]
Goldshield Brand of Phenindione
Hedulin
Hedulin (TN)
Hemolidione
Indema
Indion
Indon
Merck Lipha Sante Brand of Phenindione
P1029
P26406_ALDRICH
Phenhydren
Phenillin
Phenindione
Phenindione (INN)
Phenindione [INN:BAN]
Phenindionum
Phenindionum [INN-Latin]
Phenylen
Phenylin
Phenylindanedione
Phenylindione
Phenyline
Phenyllin
Pindione
Rectadione
Theradione
Thrombasal
Tromazal
Trombol
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Structure
Formula
C15H10O2
Molecular Weight
222.243
Canonical SMILES
O=C1C(C(=O)c2ccccc12)c1ccccc1
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InChI
InChI=1S/C15H10O2/c16-14-11-8-4-5-9-12(11)15(17)13(14)10-6-2-1-3-7-10/h1-9,13H
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InChIKey
NFBAXHOPROOJAW-UHFFFAOYSA-N
CAS
83-12-5
Physicochemical Property
logP
2.8494
Rotatable Bonds
1
Heavy Atom Count
17
Polar Areas
34.14
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
17

"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: 4760
SID: 14797982
ChEMBL ID
CHEMBL711
DrugBank ID
DB00498
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: PT01743, Polyunsaturated fatty acid 5-lipoxygenase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000194 RBL-1 Rattus norvegicus (Rat)  1
1
IC50 = 15000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Phenindione )
Drug Name Phenindione
Indication
Coagulation defect
Approved
Pulmonary embolism
Approved
Target(s)
Vitamin K epoxide reductase complex 1 (VKORC1)
Inhibitor