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Compound InformationSONAR Target prediction
Name:

TACROLIMUS

Unique Identifier:SPE01503968
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C44H69NO12
Molecular Weight:734.47 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)C=C(C)C1OC(=O)C2CCCCN2C(=O)C(=O)C2(O)OC(C(CC(C)CC(C)=CC(C
C=C)C(=O)CC(O)C1C)OC)C(CC2C)OC
Source:Streptomyces tsukubaensis
Therapeutics:immune suppressant, antifungal

Found: 71 nonactive | as graph: single | with analogs [1] << Back 71
Species: 4932
Condition: WHI5
Replicates: 2
Raw OD Value: r im 0.6720±0.0355675
Normalized OD Score: sc h 0.9309±0.04312
Z-Score: -2.4101±1.47053
p-Value: 0.0855856
Z-Factor: -1.74856
Fitness Defect: 2.4582
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:5|E7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.40 Celcius
Date:2008-09-16 YYYY-MM-DD
Plate CH Control (+):0.041475±0.00118
Plate DMSO Control (-):0.7054750000000001±0.01407
Plate Z-Factor:0.9265
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 4292 | Additional Members: 3 | Rows returned: 1
SPE01504008 0

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