| Compound Information | SONAR Target prediction |
| Name: | CHOLESTANE |
| Unique Identifier: | SPE00300015 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 325.297 g/mol |
| X log p: | 2.314 (online calculus) |
| Lipinksi Failures | 0 |
| TPSA | 0 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 0 |
| Rotatable Bond Count: | 5 |
| Canonical Smiles: | CC(C)CCCC(C)C1CCC2C3CCC4CCCCC4(C)C3CCC12C |
| Source: | semisynthetic |
| Generic_name: | ADAMANTANE |
| Chemical_iupac_name: | ADAMANTANE |
| Drug_type: | Experimental |
| Drugbank_id: | EXPT00433 |
| Logp: | 2.69 |
| Drug_category: | Cytochrome P450Cam inhibitor |
| Organisms_affected: | -1 |
| Found: 205 nonactive as graph: single | with analogs | [1] << Back 181 182 183 184 185 186 187 188 189 190 Next >> [205] |
| Species: | 4932 |
| Condition: | TRK1 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.5125±0.0101116 |
| Normalized OD Score: sc h | 1.0104±0.017652 |
| Z-Score: | 0.3172±0.549698 |
| p-Value: | 0.711632 |
| Z-Factor: | -8.72002 |
| Fitness Defect: | 0.3402 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 3127 | [1] << Back 411 412 413 414 415 416 417 418 419 420 Next >> [522] |
| 6427677 | (1R,2R)-1-(cyclopropylmethyl)-2-methyl-cyclopropane |
| 6427678 | (1S,2R)-1-(3-cyclopropylpropyl)-2-methyl-cyclopropane |
| 6427679 | (1S,2S)-1-cyclopropyl-2-ethyl-cyclopropane |
| 6427680 | 1-[(1S,2S)-2-cyclopropylcyclopropyl]butane |
| 6427683 | (1S,2R)-1-(cyclopropylmethyl)-2-methyl-cyclopropane |
| 6427684 | 1-[(1R,2S)-2-(cyclopropylmethyl)cyclopropyl]hexane |
| internal high similarity DBLink | Rows returned: 0 |
| active | Cluster 2228 | Additional Members: 18 | Rows returned: 7 | 1 2 Next >> |
| SPE00270051 | 0.451219512195122 |
| SPE01500835 | 0.309859154929578 |
| SPE01500605 | 0.3 |
| SPE01500837 | 0.3 |
| Prest256 | 0.3 |
| SPE01500906 | 0 |
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