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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 91 92 93 94 95 96 97 98 99 100  Next >> [104]
Species: 4932
Condition: TPK1
Replicates: 2
Raw OD Value: r im 0.0415±0.000989949
Normalized OD Score: sc h 0.0565±0.00213189
Z-Score: -45.4770±0.577264
p-Value: 0
Z-Factor: 0.875412
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:25.20 Celcius
Date:2008-04-25 YYYY-MM-DD
Plate CH Control (+):0.040275000000000005±0.00323
Plate DMSO Control (-):0.687025±0.02540
Plate Z-Factor:0.7911
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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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