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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: 453 nonactive | as graph: single | with analogs [1] << Back 31 32 33 34 35 36 37 38 39 40  Next >> [453]
Species: 4932
Condition: SPE01501016
Replicates: 2
Raw OD Value: r im 0.8011±0
Normalized OD Score: sc h 1.0040±0
Z-Score: 0.1581±0
p-Value: 0.874388
Z-Factor: -20.072
Fitness Defect: 0.1342
Bioactivity Statement: Nonactive
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 (+):0.0397±0.00315
Plate DMSO Control (-):0.7882±0.01476
Plate Z-Factor:0.9282
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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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