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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 101 102 103 104 Next >> [104]
Species: 4932
Condition: WHI5
Replicates: 2
Raw OD Value: r im 0.0441±0.000353553
Normalized OD Score: sc h 0.0613±0.0000333842
Z-Score: -35.0645±1.47911
p-Value: 0
Z-Factor: 0.931406
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:26.00 Celcius
Date:2008-09-16 YYYY-MM-DD
Plate CH Control (+):0.041749999999999995±0.00056
Plate DMSO Control (-):0.6995749999999998±0.01500
Plate Z-Factor:0.9404
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

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

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