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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 51 52 53 54 55 56 57 58 59 60  Next >> [104]
Species: 4932
Condition: MMS22
Replicates: 2
Raw OD Value: r im 0.0408±0.000212132
Normalized OD Score: sc h 0.0745±0.00268117
Z-Score: -30.4634±1.74105
p-Value: 0
Z-Factor: 0.864051
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:26.40 Celcius
Date:2008-06-13 YYYY-MM-DD
Plate CH Control (+):0.040275000000000005±0.00138
Plate DMSO Control (-):0.5321±0.02066
Plate Z-Factor:0.8204
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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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