| Compound Information | SONAR 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 Failures | 2 |
| TPSA | 242 |
| 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 71 72 73 74 75 76 77 78 79 80 Next >> [453] |
| Species: | 4932 |
| Condition: | SPE00100513 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.6331±0.00176777 |
| Normalized OD Score: sc h | 1.0358±0.0367658 |
| Z-Score: | 1.6825±1.90498 |
| p-Value: | 0.369842 |
| Z-Factor: | -4.23927 |
| Fitness Defect: | 0.9947 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 16 | 1 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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