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Compound InformationSONAR Target prediction
Name:

CHOLESTERYL ACETATE

Unique Identifier:SPE00307031
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:380.309 g/mol
X log p:3.511  (online calculus)
Lipinksi Failures0
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:7
Canonical Smiles:CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(C)=O
Class:sterol
Source:animal tissue; derivative

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: SWI4
Replicates: 2
Raw OD Value: r im 0.5711±0.00282843
Normalized OD Score: sc h 0.9791±0.00249204
Z-Score: -0.9440±0.089969
p-Value: 0.346132
Z-Factor: -6.85109
Fitness Defect: 1.0609
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:14|F6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.20 Celcius
Date:2008-02-07 YYYY-MM-DD
Plate CH Control (+):0.04214999999999999±0.00050
Plate DMSO Control (-):0.56595±0.01678
Plate Z-Factor:0.9172
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DBLink | Rows returned: 188[1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [32]
540889 (3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)
acetate
541139 (3-acetyloxy-4,4,10,13-tetramethyl-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-
yl) acetate
547784 [17-(2-hydroxypropan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phen
anthren-3-yl] acetate
570648 [10,13-dimethyl-17-(3,4,5,6-tetramethylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclope
nta[a]phenanthren-3-yl] acetate
583593 (4a-methyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl) acetate
583605 n/a

internal high similarity DBLink | Rows returned: 72 Next >> 
BTB 13785 0.9254
NRB 03707 0.9254
SB 01787 0.9394
SPE00270029 0.9394
BTB 01201 1.0000
NRB 03882 1.0000

active | Cluster 15449 | Additional Members: 9 | Rows returned: 0

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