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Compound InformationSONAR Target prediction
Name:

BLEOMYCIN (bleomycin B2 shown)

Unique Identifier:SPE01503692
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C58H94N20O26S4
Molecular Weight:1521 g/mol
X log p:0.760999999999998  (online calculus)
Lipinksi Failures2
TPSA295.11
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:38
Rotatable Bond Count:43
Canonical Smiles:CCC1OC(OC(C(NC(=O)c2nc(nc(N)c2C)C(CC(N)=O)NCC(N)C(N)=O)C(=O)NC(C)C(O)C
(C)C(=O)NC(C(C)O)C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCCNC(N)=N)c2cncn2)C
(OC2OC(CO)C(O)C(OC(N)=O)C2O)C(C)C1C.OS(O)(=O)=O.OS(O)(=O)=O
Source:[Bleocin (TM) 3.5% Cu]; ex Streptomyces verticillis
Reference:Biorg Khim 21: 695 (1995)
Therapeutics:antineoplastic

Found: 113 active | as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [113]
Species: 4932
Condition: BCK1
Replicates: 2
Raw OD Value: r im 0.1320±0.000353553
Normalized OD Score: sc h 0.1036±0.000826417
Z-Score: -18.3359±0.308099
p-Value: 0
Z-Factor: 0.912618
Fitness Defect: INF
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:1|E5
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.10150000000000002±0.00652
Plate DMSO Control (-):0.9764999999999999±0.01278
Plate Z-Factor:0.9338
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 1 | Additional Members: 50 | Rows returned: 131 2 3 Next >> 
LOPAC 00756 0
SPE01503428 0
LAT007G07 0
Prest1291 0
LAT007H07 0
LAT007E08 0

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