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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 << Back 1 2 3 4 5 Next >> 
Species: 4932
Condition: wt18h
Replicates: 2
Raw OD Value: r im 0.8028±0.00282843
Normalized OD Score: sc h 1.0196±0.0114665
Z-Score: 0.5912±0.249271
p-Value: 0.560472
Z-Factor: -3.45281
Fitness Defect: 0.579
Bioactivity Statement: Nonactive
Experimental Conditions
Library:LATCA
Plate Number and Position:2|B8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.70 Celcius
Date:2007-02-28 YYYY-MM-DD
Plate CH Control (+):0.040325±0.00180
Plate DMSO Control (-):0.8076749999999999±0.01978
Plate Z-Factor:0.9010
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 1
SPE01500844 1.0000

nonactive | Cluster 1 | Additional Members: 50 | Rows returned: 451 2 3 4 5 6 7 8 Next >> 
LAT007D08 0
LAT007C08 0
Prest1333 0
LAT007H08 0
SPE01505111 0
LOPAC 00756 0

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