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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 561 562 563 564 565 566 567 568 569 570  Next >> [602]
Species: 4932
Condition: ROT2
Replicates: 2
Raw OD Value: r im 0.8329±0.000282843
Normalized OD Score: sc h 1.0058±0.00191863
Z-Score: 0.2734±0.086787
p-Value: 0.78498
Z-Factor: -8.40084
Fitness Defect: 0.2421
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:18|C4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.40 Celcius
Date:2006-05-05 YYYY-MM-DD
Plate CH Control (+):0.0399±0.00293
Plate DMSO Control (-):0.8110999999999999±0.02009
Plate Z-Factor:0.9082
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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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