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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 1 2 3 4 5 6 7 8 9 10  Next >> [71]
Species: 4932
Condition: ABP1
Replicates: 2
Raw OD Value: r im 0.6982±0.01393
Normalized OD Score: sc h 0.9948±0.0128169
Z-Score: -0.2578±0.646059
p-Value: 0.658532
Z-Factor: -26.2575
Fitness Defect: 0.4177
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:5|E7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.10 Celcius
Date:2007-12-20 YYYY-MM-DD
Plate CH Control (+):0.042374999999999996±0.00060
Plate DMSO Control (-):0.677475±0.01209
Plate Z-Factor:0.9526
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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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