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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 51 52 53 54 55 56 57 58 59 60  Next >> [104]
Species: 4932
Condition: MT2481-pdr1pdr3-1st
Replicates: 2
Raw OD Value: r im 0.6048±0.00353553
Normalized OD Score: sc h 0.9721±0.00496444
Z-Score: -1.3004±0.183668
p-Value: 0.197202
Z-Factor: -1.86694
Fitness Defect: 1.6235
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:17|A3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.40 Celcius
Date:2008-01-25 YYYY-MM-DD
Plate CH Control (+):0.040400000000000005±0.00029
Plate DMSO Control (-):0.60615±0.01244
Plate Z-Factor:0.9379
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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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