Compound Information | SONAR Target prediction | Name: | alpha-HYDROXYDEOXYCHOLIC ACID | Unique Identifier: | SPE00270049 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | | Molecular Weight: | 353.262 g/mol | X log p: | -0.402 (online calculus) | Lipinksi Failures | 0 | TPSA | 17.07 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 4 | Rotatable Bond Count: | 4 | Canonical Smiles: | CC(CCC(O)=O)C1CCC2C3CC(O)C4CC(O)CCC4(C)C3CCC12C | Class: | sterol | Source: | pig bile | Reference: | J Chem Soc 1990: 1 |
Species: |
4932 |
Condition: |
APC9 |
Replicates: |
2 |
Raw OD Value: r im |
0.7233±0.00254558 |
Normalized OD Score: sc h |
1.0301±0.00192457 |
Z-Score: |
1.6358±0.129218 |
p-Value: |
0.103312 |
Z-Factor: |
-2.01831 |
Fitness Defect: |
2.27 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 9|C11 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 23.00 Celcius | Date: | 2007-11-22 YYYY-MM-DD | Plate CH Control (+): | 0.041624999999999995±0.00032 | Plate DMSO Control (-): | 0.684675±0.01815 | Plate Z-Factor: | 0.9186 |
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227033 |
4-(3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenant hren-17-yl)pentanoic acid |
316306 |
9,12-dihydroxyoctadecanoic acid |
376833 |
4-[(5R,8S,10R,13R,17R)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H- cyclopenta[a]phenanthren-17-yl]pentanoic acid |
3038175 |
(4R)-4-[(3R,5R,6S,10R,13R,17R)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecah ydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid |
5283820 |
(4R)-4-[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17- tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid |
5283821 |
(4R)-4-[(3R,5R,6R,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17- tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid |
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