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Compound InformationSONAR Target prediction
Name:

COENZYME B12

Unique Identifier:SPE01500844
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
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
Class:macrolide
Source:Vitamin B12
Therapeutics:vitamin

Found: 205 nonactive as graph: single | with analogs [1] << Back 31 32 33 34 35 36 37 38 39 40  Next >> [205]
Species: 4932
Condition: DRS2
Replicates: 2
Raw OD Value: r im 0.6860±0.00813173
Normalized OD Score: sc h 1.0172±0.00516555
Z-Score: 0.7381±0.223229
p-Value: 0.466004
Z-Factor: -7.41358
Fitness Defect: 0.7636
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:11|B7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.10 Celcius
Date:2008-01-11 YYYY-MM-DD
Plate CH Control (+):0.04165±0.00145
Plate DMSO Control (-):0.65325±0.01889
Plate Z-Factor:0.8976
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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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