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Compound InformationSONAR Target prediction
Name:

VINDOLINE

Unique Identifier:SPE01505004
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C25H32N2O6
Molecular Weight:424.277 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:CCC12C=CCN3CCC4(C(N(C)c5cc(OC)ccc54)C(O)(C1OC(C)=O)C(=O)OC)C32
Class:alkaloid
Source:Vinca rosea, V pusilla
Reference:JACS 54:1058 (1962); Naturwissenschaften 51:637 (1964); 52:132 (1965); Japan J Can
Res 77:197 (1986); J Curr Pharn Des 7:1181 (2001)
Therapeutics:CNS stimulant/depressant; antihyperglycaemic

Found: 104 nonactive as graph: single | with analogs 2 3 4 5 6 7 8 9 10  Next >> [104]
Species: 4932
Condition: AAT2
Replicates: 2
Raw OD Value: r im 0.7437±0.00183848
Normalized OD Score: sc h 1.0122±0.00214525
Z-Score: 0.6486±0.127921
p-Value: 0.518286
Z-Factor: -4.59493
Fitness Defect: 0.6572
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:6|E8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.80 Celcius
Date:2008-04-08 YYYY-MM-DD
Plate CH Control (+):0.04005±0.00053
Plate DMSO Control (-):0.715775±0.02450
Plate Z-Factor:0.9275
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 15220 | Additional Members: 6 | Rows returned: 0

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