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Compound InformationSONAR Target prediction
Name:

SIROLIMUS

Unique Identifier:SPE01504008
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C51H79NO13
Molecular Weight:834.545 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:COC1CC(CCC1O)CC(C)C1CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C(C
)C(CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)O1)OC
Source:Streptomyces hygroscopicus
Therapeutics:immunosuppressant, antineoplastic; rapamycin

Found: 104 active as graph: single | with analogs [1] << Back 31 32 33 34 35 36 37 38 39 40  Next >> [104]
Species: 4932
Condition: DIA2
Replicates: 2
Raw OD Value: r im 0.0429±0.00205061
Normalized OD Score: sc h 0.0718±0.00315088
Z-Score: -42.3000±1.35038
p-Value: 0
Z-Factor: 0.891584
Fitness Defect: INF
Bioactivity Statement: Toxic
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:20|F2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.90 Celcius
Date:2008-06-18 YYYY-MM-DD
Plate CH Control (+):0.039825±0.00051
Plate DMSO Control (-):0.577925±0.01755
Plate Z-Factor:0.8958
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 4292 | Additional Members: 3 | Rows returned: 1
SPE01503968 0.56

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