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Compound InformationSONAR Target prediction
Name:

CARDIOLIPIN SODIUM

Unique Identifier:SPE01500820
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C57H108Na2O17P2
Molecular Weight:1064.53 g/mol
X log p:-2.823  (online calculus)
Lipinksi Failures2
TPSA242
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:17
Rotatable Bond Count:62
Canonical Smiles:[Na+].[Na+].[O-]P(=O)(OCC(O)COP([O-])(=O)OCC(COC(=O)CCCCCCCCCCC)OC(=O)
CCCCCCCCCCC)OCC(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC
Source:ex heart and liver tissue
Generic_name:CARDIOLIPIN
Chemical_iupac_name:CARDIOLIPIN
Drug_type:Experimental
Kegg_compound_id:C05980
Drugbank_id:EXPT00874
Drug_category:ADP, ATP Carrier Protein Heart Isoform T1 inhibitor
Organisms_affected:-1

Found: 59 active | as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [59]
Species: 4932
Condition: SPE01502260
Replicates: 2
Raw OD Value: r im 0.2574±0
Normalized OD Score: sc h 0.7182±0
Z-Score: -4.5659±0
p-Value: 0.00000497438
Z-Factor: 0.354872
Fitness Defect: 12.2112
Bioactivity Statement: Active
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:2|B9
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:0.00 Celcius
Date:2006-08-13 YYYY-MM-DD
Plate CH Control (+):0.04055±0.00091
Plate DMSO Control (-):0.3584±0.02117
Plate Z-Factor:0.7899
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DBLink | Rows returned: 161 2 3 Next >> 
127206 2,3-dihexadecanoyloxypropoxy-[3-(2,3-dihexadecanoyloxypropoxy-hydroxy-phosphoryl)oxypropoxy]phosphinic
acid
446481 [(2S)-2-hydroxy-3-[hydroxy-[(2R)-2-nonanoyloxy-3-pentadecanoyloxy-propoxy]phosphoryl]oxy-propoxy]-[(2R)-
2-pentadecanoyloxy-3-tetradecanoyloxy-propoxy]phosphinic acid
446671 [(2R)-3-decanoyloxy-2-undecanoyloxy-propoxy]-[(2S)-2-hydroxy-3-[hydroxy-[(2R)-2-nonanoyloxy-3-octadecano
yloxy-propoxy]phosphoryl]oxy-propoxy]phosphinic acid
447345 [(2S)-3-[[(2R)-3-hexanoyloxy-2-pentadecanoyloxy-propoxy]-hydroxy-phosphoryl]oxy-2-hydroxy-propoxy]-[(2R)
-2-pentadecanoyloxy-3-tridecanoyloxy-propoxy]phosphinic acid
447642 [(2R)-2,3-ditetradecanoyloxypropoxy]-[(2S)-2-hydroxy-3-[hydroxy-[(2R)-2-hydroxy-3-pentadecanoyloxy-propo
xy]phosphoryl]oxy-propoxy]phosphinic acid
447665 [(2R)-2-heptanoyloxy-3-tetradecanoyloxy-propoxy]-[(2S)-2-hydroxy-3-[hydroxy-[(2R)-2-pentanoyloxy-3-propa
noyloxy-propoxy]phosphoryl]oxy-propoxy]phosphinic acid

internal high similarity DBLink | Rows returned: 0

active | Cluster 4759 | Additional Members: 4 | Rows returned: 3
LOPAC 01208 0
LOPAC 01137 0
SPE01503629 0

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