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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 1 2 3 4 5 6 7 8 9 10  Next >> [101]
Species: 4932
Condition: BNI1
Replicates: 2
Raw OD Value: r im 0.6850±0.00183848
Normalized OD Score: sc h 0.9816±0.000525572
Z-Score: -0.9100±0.0545981
p-Value: 0.363198
Z-Factor: -3.11737
Fitness Defect: 1.0128
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:13|A9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.20 Celcius
Date:2007-09-14 YYYY-MM-DD
Plate CH Control (+):0.042374999999999996±0.00088
Plate DMSO Control (-):0.6882250000000001±0.01510
Plate Z-Factor:0.9316
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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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