Compound Information | SONAR Target prediction | Name: | SITOSTEROL, beta - | Unique Identifier: | BIOMOL 418 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | C29H50O | Molecular Weight: | 367.334 g/mol | X log p: | 3.53 (online calculus) | Lipinksi Failures | 0 | TPSA | 0 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 1 | Rotatable Bond Count: | 6 | Canonical Smiles: | CCC(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C | Generic_name: | CHOLESTEROL | Chemical_iupac_name: | CHOLESTEROL | Drug_type: | Experimental | Kegg_compound_id: | C00187 | Drugbank_id: | EXPT00945 | Logp: | 7.445 | Cas_registry_number: | 57-88-5 | Drug_category: | Nuclear Receptor Ror-Alpha inhibitor | Organisms_affected: | -1 |
Species: |
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Condition: |
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Replicates: |
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Raw OD Value: r im |
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Normalized OD Score: sc h |
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Z-Score: |
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p-Value: |
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Z-Factor: |
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Fitness Defect: |
INF |
Bioactivity Statement: |
Toxic |
Experimental Conditions | | Library: | | Plate Number and Position: | | | Drug Concentration: | nM | OD Absorbance: | nm | Robot Temperature: | Celcius | Date: | YYYY-MM-DD | Plate CH Control (+): | ± | Plate DMSO Control (-): | ± | Plate Z-Factor: | |
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6102286 |
(3S,8S,9S,10R,13R,14S)-17-[(2R)-2-hydroxy-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,1 6,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
6324940 |
(3S,8S,10R,13R)-17-[(5S)-5-ethyl-6-methyl-hept-6-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-d odecahydro-1H-cyclopenta[a]phenanthren-3-ol |
6428642 |
(3S)-10,13-dimethyl-17-[(E)-pent-3-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]ph enanthren-3-ol |
6428659 |
(3S)-17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta [a]phenanthren-3-ol |
6428671 |
(3S)-10,13-dimethyl-17-(6-methyl-5-methylidene-heptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H -cyclopenta[a]phenanthren-3-ol |
6428685 |
(3S,4R)-4,10,13-trimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopen ta[a]phenanthren-3-ol |
internal high similarity DBLink | Rows returned: 0 | |
active | Cluster 17506 | Additional Members: 20 | Rows returned: 4 | |
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