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Compound InformationSONAR Target prediction
Name:

TRYPTAMINE

Unique Identifier:SPE01503922
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:148.12 g/mol
X log p:9.835  (online calculus)
Lipinksi Failures1
TPSA0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:2
Canonical Smiles:NCCc1cnc2ccccc12
Class:alkaloid
Source:Acacia spp, Lens esculenta, Prosopsis juliflora and fungi Ponaeolus foenisicii and
Coprinus m
Reference:J Chem Soc 99:270 (1911); J Sci Technol Sect B 25:157 (1944); 33:54 (1951); 38:718
(1957)
Therapeutics:psychotropic

Found: 205 nonactive as graph: single | with analogs [1] << Back 171 172 173 174 175 176 177 178 179 180  Next >> [205]
Species: 4932
Condition: SET2
Replicates: 2
Raw OD Value: r im 0.7160±0.00714178
Normalized OD Score: sc h 1.0005±0.00664195
Z-Score: 0.0317±0.389264
p-Value: 0.78323
Z-Factor: -18.0315
Fitness Defect: 0.2443
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:18|A9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.70 Celcius
Date:2007-11-15 YYYY-MM-DD
Plate CH Control (+):0.0412±0.00069
Plate DMSO Control (-):0.7002999999999999±0.12747
Plate Z-Factor:0.3994
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 2
AC 15867 0.9048
LOPAC 00557 1.0000

active | Cluster 17959 | Additional Members: 13 | Rows returned: 1
SPE01505331 0.405405405405405

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