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Compound InformationSONAR Target prediction
Name:

TEICOPLANIN [A(2-1) shown]

Unique Identifier:SPE01505707
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C88Cl2H95N9O33
Molecular Weight:1781.89 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:CCCCCC=CCCC(=O)NC1C(O)C(O)C(CO)OC1Oc1c2Oc3ccc(CC4NC(=O)C(N)c5ccc(O)c(O
c6cc(O)cc(c6)C(NC4=O)C(=O)NC4C(=O)NC6C(=O)NC(C(OC7OC(CO)C(O)C(O)C7NC(C
)=O)c7ccc(Oc1cc4c2)c(Cl)c7)C(=O)NC(C(O)=O)c1cc(O)cc(OC2OC(CO)C(O)C(O)C
2O)c1c1cc6ccc1O)c5)cc3Cl
Source:Actinoplanes teichomyceticus; MDL-507
Therapeutics:antibacterial

Found: 104 nonactive as graph: single | with analogs [1] << Back 51 52 53 54 55 56 57 58 59 60  Next >> [104]
Species: 4932
Condition: MMS22
Replicates: 2
Raw OD Value: r im 0.5222±0.0114551
Normalized OD Score: sc h 0.9881±0.00695046
Z-Score: -0.3615±0.180113
p-Value: 0.719882
Z-Factor: -13.6742
Fitness Defect: 0.3287
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:21|E8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.00 Celcius
Date:2008-06-13 YYYY-MM-DD
Plate CH Control (+):0.041325±0.00072
Plate DMSO Control (-):0.5227999999999999±0.01854
Plate Z-Factor:0.8971
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 1 | Additional Members: 50 | Rows returned: 451 2 3 4 5 6 7 8 Next >> 
LAT007D08 0
LAT026D06 0
LAT007C08 0
Prest1333 0
LAT007H08 0
SPE01505111 0

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