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Compound InformationSONAR Target prediction
Name:

Vinblastine sulfate salt

Unique Identifier:LOPAC 01287
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C46H60N4O13S
Molecular Weight:849.585 g/mol
X log p:14.643  (online calculus)
Lipinksi Failures2
TPSA97.85
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:13
Rotatable Bond Count:10
Canonical Smiles:CCC1(O)CC2CN(CCc3c(nc4ccccc43)C(C2)(C(=O)OC)c2cc3c(cc2OC)N(C)C2C(O)(C(
OC(C)=O)C4(CC)C=CCN5CCC23C54)C(=O)OC)C1.OS(O)(=O)=O
Class:Cytoskeleton and ECM
Action:Inhibitor
Selectivity:Tubulin

Found: 24 nonactive as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [24]
Species: 4932
Condition: BY4741
Replicates: 8
Raw OD Value: r im 0.8058±0.0726336
Normalized OD Score: sc h 1.0251±0.0287481
Z-Score: 0.8125±0.646778
p-Value: 0.418168
Z-Factor: -3.25129
Fitness Defect: 0.8719
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:16|C8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.80 Celcius
Date:2005-04-07 YYYY-MM-DD
Plate CH Control (+):0.04744375000000002±0.00149
Plate DMSO Control (-):0.7487312500000001±0.03169
Plate Z-Factor:0.8821
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 1
LOPAC 01290 0.9613

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