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Compound InformationSONAR Target prediction
Name:

VINBLASTINE SULFATE

Unique Identifier:SPE01500611
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C46H60N4O13S
Molecular Weight:850.593 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)C2C(O)(C(
OC(C)=O)C4(CC)C=CCN5CCC23C54)C(=O)OC)C1.OS(O)(=O)=O
Class:alkaloid
Source:Vinca rosea
Therapeutics:antineoplastic, spindle poison

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: CHS3
Replicates: 2
Raw OD Value: r im 0.6412±0.00473762
Normalized OD Score: sc h 0.9837±0.0115371
Z-Score: -0.7515±0.514209
p-Value: 0.481468
Z-Factor: -8.28877
Fitness Defect: 0.7309
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:17|A3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.10 Celcius
Date:2008-06-20 YYYY-MM-DD
Plate CH Control (+):0.040175±0.00056
Plate DMSO Control (-):0.646325±0.01547
Plate Z-Factor:0.9160
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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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