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Compound InformationSONAR Target prediction
Name:

BACITRACIN

Unique Identifier:SPE01500134
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:1318.88 g/mol
X log p:7.447  (online calculus)
Lipinksi Failures3
TPSA289
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:33
Rotatable Bond Count:39
Canonical Smiles:CCC(C)C(N)C1SCC(N=1)C(=O)NC(CC(C)C)C(=O)NC(CCC(O)=O)C(=O)NC(C(C)CC)C(=
O)NCCCCC1NC(=O)C(CC(N)=O)NC(=O)C(CC(O)=O)NC(=O)C(Cc2cncn2)NC(=O)C(Cc2c
cccc2)NC(=O)C(NC(=O)C(CCCN)NC1=O)C(C)CC
Class:macrolide
Source:Bacillus licheniformis and B subtilis
Therapeutics:antibacterial

Found: 205 nonactive as graph: single | with analogs [1] << Back 21 22 23 24 25 26 27 28 29 30  Next >> [205]
Species: 4932
Condition: BIM1
Replicates: 2
Raw OD Value: r im 0.6795±0.0207889
Normalized OD Score: sc h 1.0030±0.0195723
Z-Score: 0.1963±1.01724
p-Value: 0.480432
Z-Factor: -15.9986
Fitness Defect: 0.7331
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:4|A10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.80 Celcius
Date:2008-06-24 YYYY-MM-DD
Plate CH Control (+):0.039975±0.00033
Plate DMSO Control (-):0.656775±0.02968
Plate Z-Factor:0.8349
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 1 | Additional Members: 50 | Rows returned: 141 2 3 Next >> 
LOPAC 00756 0
SPE01503692 0
LAT007G07 0
Prest1291 0
LAT007H07 0
LAT007E08 0

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