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Compound InformationSONAR Target prediction
Name:

ACETYLSEROTONIN

Unique Identifier:SPE01500700
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C12H14N2O2
Molecular Weight:204.141 g/mol
X log p:8.032  (online calculus)
Lipinksi Failures1
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:4
Canonical Smiles:CC(=O)NCCc1cnc2ccc(O)cc12
Source:metabolite of serotonin
Reference:J Biol Chem 234: 858 (1959); J Pharm Sci 57: 1998 (1968)
Therapeutics:inhibits hydroxyindole-O-methyltransferase

Found: 101 nonactive as graph: single | with analogs [1] << Back 51 52 53 54 55 56 57 58 59 60  Next >> [101]
Species: 4932
Condition: NBP2
Replicates: 2
Raw OD Value: r im 0.8033±0.0159099
Normalized OD Score: sc h 0.9991±0.0033927
Z-Score: -0.0154±0.0810717
p-Value: 0.95429
Z-Factor: -7.40911
Fitness Defect: 0.0468
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:13|A9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.60 Celcius
Date:2006-02-17 YYYY-MM-DD
Plate CH Control (+):0.0385±0.00154
Plate DMSO Control (-):0.7344999999999999±0.02715
Plate Z-Factor:0.8826
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 5
AC 12536 0.9043
LOPAC 00520 0.9043
SPE01500690 0.9043
AC 22693 1.0000
LOPAC 00650 1.0000

active | Cluster 10596 | Additional Members: 6 | Rows returned: 0
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