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Compound InformationSONAR Target prediction
Name:

METHYL DEOXYCHOLATE

Unique Identifier:SPE00270051
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:364.265 g/mol
X log p:-0.0670000000000001  (online calculus)
Lipinksi Failures0
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:5
Canonical Smiles:COC(=O)CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C
Class:sterol
Source:rabbit bile & feces
Reference:Helv Chim Acta 25:797 (1942); J Biol Chem 238: 3846 (1963)
Generic_name:METHYL NONANOATE (ESTER)
Chemical_iupac_name:METHYL NONANOATE (ESTER)
Drug_type:Experimental
Drugbank_id:EXPT02376
Drug_category:Neutrophil Gelatinase inhibitor
Organisms_affected:-1

Found: 41 active | as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [41]
Species: 4932
Condition: CDC73
Replicates: 2
Raw OD Value: r im 0.3323±0.000424264
Normalized OD Score: sc h 0.7703±0.00380028
Z-Score: -5.7947±0.399799
p-Value: 0.0000000183486
Z-Factor: -1.10812
Fitness Defect: 17.8137
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:6|C11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.60 Celcius
Date:2007-09-19 YYYY-MM-DD
Plate CH Control (+):0.040375±0.00041
Plate DMSO Control (-):0.41517499999999996±0.05775
Plate Z-Factor:0.5082
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DBLink | Rows returned: 709[1] << Back 51 52 53 54 55 56 57 58 59 60  Next >> [119]
554146 methyl 5,9-dimethyldecanoate
554149 methyl 7-methyloctadecanoate
554151 methyl 13-methylpentadecanoate
554152 methyl 15-methylheptadecanoate
554153 methyl 9-methyloctadecanoate
554154 methyl 10-methylnonadecanoate

internal high similarity DBLink | Rows returned: 71 2 Next >> 
RJC 03996 0.9091
SPE01504910 0.9091
SB 01788 0.9677
SPE01500904 0.9677
BTB 15024 1.0000
FM 00119 1.0000

active | Cluster 2228 | Additional Members: 18 | Rows returned: 6
SPE01500835 0.309859154929578
SPE01500605 0.3
SPE01500837 0.3
Prest256 0.3
SPE01500906 0
Prest88 0

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