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Compound InformationSONAR Target prediction
Name:

TETRANDRINE

Unique Identifier:SPE01504185
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:580.417 g/mol
X log p:23.688  (online calculus)
Lipinksi Failures1
TPSA61.86
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:8
Rotatable Bond Count:4
Canonical Smiles:COc1ccc2CC3N(C)CCc4cc(OC)c(OC)c(Oc5cc6C(Cc7ccc(Oc1c2)cc7)N(C)CCc6cc5OC
)c34
Class:alkaloid
Source:Triclisia and Cyclea spp
Reference:Phytochemistry 14: 2524 (1975); Life Sci 68: 841 (2001)
Therapeutics:analgesic, antineoplastic, antihypertensive, lymphotoxin

Found: 602 nonactive | as graph: single | with analogs [1] << Back 41 42 43 44 45 46 47 48 49 50  Next >> [602]
Species: 4932
Condition: SPE00100009
Replicates: 2
Raw OD Value: r im 0.0494±0.00763675
Normalized OD Score: sc h 1.0720±0.101822
Z-Score: 0.8250±1.1667
p-Value: 0.549476
Z-Factor: -2.99775
Fitness Defect: 0.5988
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:2|G9
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:22.30 Celcius
Date:2006-11-29 YYYY-MM-DD
Plate CH Control (+):0.039650000000000005±0.00102
Plate DMSO Control (-):0.04975±0.25142
Plate Z-Factor:-2.6990
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DBLink | Rows returned: 451 2 3 4 5 6 7 8 Next >> 
5422
10170
14954
14955
21233
24244

internal high similarity DBLink | Rows returned: 1
SPE01500602 0.9868

active | Cluster 11120 | Additional Members: 9 | Rows returned: 0
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