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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] << Back 51 52 53 54 55 56 57 58 59 Next >> [59]
Species: 4932
Condition: SWE1
Replicates: 2
Raw OD Value: r im 0.5523±0.0355675
Normalized OD Score: sc h 0.7028±0.0468399
Z-Score: -8.8717±0.680551
p-Value: 2.42212e-17
Z-Factor: 0.230444
Fitness Defect: 38.2593
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:10|B9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.30 Celcius
Date:2006-04-19 YYYY-MM-DD
Plate CH Control (+):0.03845±0.00147
Plate DMSO Control (-):0.754275±0.02259
Plate Z-Factor:0.9085
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DBLink | Rows returned: 16<< Back 1 2 3
5287898 [(2R)-3-[[3-[[(2R)-2,3-dioctadecanoyloxypropoxy]-oxido-phosphoryl]oxy-2-hydroxy-propoxy]-oxido-phosphory
l]oxy-2-octadecanoyloxy-propyl] octadecanoate
5326794 [(2S)-2,3-dinonanoyloxypropoxy]-[3-[[(2S)-2,3-dinonanoyloxypropoxy]-hydroxy-phosphoryl]oxy-2-hydroxy-pro
poxy]phosphinic acid
5327119 [(2R)-3-dodecanoyloxy-2-nonanoyloxy-propoxy]-[(2R)-2-hydroxy-3-[hydroxy-[(2R)-2-pentadecanoyloxypropoxy]
phosphoryl]oxy-propoxy]phosphinic acid
6708783 2,3-didodecanoyloxypropoxy-[3-(2,3-didodecanoyloxypropoxy-hydroxy-phosphoryl)oxy-2-hydroxy-propoxy]phosp
hinic 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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