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Compound InformationSONAR Target prediction
Name:

VINCRISTINE SULFATE

Unique Identifier:SPE01505672
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C46H58N4O14S
Molecular Weight:866.593 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:CCC1(O)CC2CN(CCc3c(nc4ccccc43)C(C2)(C(=O)OC)c2cc3c(cc2OC)N(C=O)C2C(O)(
C(OC(C)=O)C4(CC)C=CCN5CCC23C54)C(=O)OC)C1.OS(O)(=O)=O
Class:alkaloid
Source:Vinca rosea; 37231, NSC-67574
Reference:Int Pharmacodyn Ther 157:299 (1965)
Therapeutics:antineoplastic

Found: 104 nonactive as graph: single | with analogs [1] << Back 21 22 23 24 25 26 27 28 29 30  Next >> [104]
Species: 4932
Condition: BIM1
Replicates: 2
Raw OD Value: r im 0.6715±0.00445477
Normalized OD Score: sc h 0.9893±0.00630717
Z-Score: -0.5641±0.36968
p-Value: 0.58563
Z-Factor: -213.782
Fitness Defect: 0.5351
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:9|A11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.10 Celcius
Date:2008-06-24 YYYY-MM-DD
Plate CH Control (+):0.0399±0.00062
Plate DMSO Control (-):0.6641250000000001±0.02617
Plate Z-Factor:0.8357
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 9378 | Additional Members: 3 | Rows returned: 0

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