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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: 37 active | as graph: single | with analogs [1] << Back 21 22 23 24 25 26 27 28 29 30  Next >> [37]
Species: 4932
Condition: FKS1
Replicates: 2
Raw OD Value: r im 0.0534±0.000282843
Normalized OD Score: sc h 0.0809±0.000868279
Z-Score: -40.3475±1.40049
p-Value: 0
Z-Factor: 0.925634
Fitness Defect: INF
Bioactivity Statement: Toxic
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:5|E7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.70 Celcius
Date:2008-06-04 YYYY-MM-DD
Plate CH Control (+):0.040975±0.00133
Plate DMSO Control (-):0.6403749999999999±0.01413
Plate Z-Factor:0.9169
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 4292 | Additional Members: 3 | Rows returned: 0
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