| 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 |
| Species: |
4932 |
| Condition: |
GBP2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7364±0.0100409 |
| Normalized OD Score: sc h |
1.0172±0.00834725 |
| Z-Score: |
0.7535±0.383556 |
| p-Value: |
0.46755 |
| Z-Factor: |
-7.96184 |
| Fitness Defect: |
0.7602 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 24|B6 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.40 Celcius | | Date: | 2008-03-26 YYYY-MM-DD | | Plate CH Control (+): | 0.040225±0.00582 | | Plate DMSO Control (-): | 0.686425±0.02506 | | Plate Z-Factor: | 0.8757 |
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ps
pdf |
| 260716 |
bicyclo[3.2.1]octane |
| 265802 |
1-norbornan-1-ylnorbornane |
| 265997 |
n/a |
| 267596 |
9-dodecyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene |
| 268180 |
1,1,4,4,5,5,8,8-octamethyl-2,3,4a,6,7,8a,9,9a,10,10a-decahydroanthracene |
| 268188 |
1,1,4,4,7,7,10,10-octamethyl-2,3,4a,5,5a,6,6a,8,9,10a,11,11a,12,12a-tetradecahydrotetracene |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 2228 | Additional Members: 18 | Rows returned: 7 | 1 2 Next >> |
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