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Compound InformationSONAR Target prediction
Name:

Cobalamine

Unique Identifier:LAT002B08
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C73CoH101N17O17P
Molecular Weight:1476.79 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:[O-]P1(=O)OC(C)CNC(=O)CCC2(C)C(CC(N)=O)C3N4C2=C(C)C2C(CCC(C)=O)C(C)(C)
C5=CC6C(CCC(N)=O)C(C)(CC(N)=O)C7=C(C)C8C(CCC(N)=O)C(C)(CC(N)=O)C3(C)N=
8[Co+]4(CC3OC(C(O)C3O)n3cnc4c(N)ncnc34)(n3cn(C4OC(CO)C(O1)C4O)c1cc(C)c
(C)cc13)(N=67)N5=2

Found: 5 nonactive as graph: single | with analogs 1 2 3 4 5 Next >> 
Species: 4932
Condition: pdr18h
Replicates: 2
Raw OD Value: r im 0.6152±0.0135764
Normalized OD Score: sc h 0.9737±0.019091
Z-Score: -0.6236±0.589442
p-Value: 0.567188
Z-Factor: -4.53412
Fitness Defect: 0.5671
Bioactivity Statement: Nonactive
Experimental Conditions
Library:LATCA
Plate Number and Position:2|B8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.10 Celcius
Date:2007-03-08 YYYY-MM-DD
Plate CH Control (+):0.03955±0.00248
Plate DMSO Control (-):0.647475±0.01609
Plate Z-Factor:0.8987
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 1
SPE01500844 1.0000

active | Cluster 1 | Additional Members: 50 | Rows returned: 141 2 3 Next >> 
LOPAC 00756 0
SPE01503428 0
LAT007G07 0
Prest1291 0
LAT007H07 0
LAT007E08 0

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