Home | Screening data | Screen comparisons | Search for compounds | Structure search

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 161 162 163 164 165 166 167 168 169 170  Next >> [205]
Species: 4932
Condition: POP2
Replicates: 2
Raw OD Value: r im 0.6211±0.0388202
Normalized OD Score: sc h 0.9350±0.0430707
Z-Score: -2.9651±1.77106
p-Value: 0.0433884
Z-Factor: -19.3728
Fitness Defect: 3.1376
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:18|F4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:28.70 Celcius
Date:2007-10-24 YYYY-MM-DD
Plate CH Control (+):0.0404±0.00113
Plate DMSO Control (-):0.659075±0.12467
Plate Z-Factor:0.3518
png
ps
pdf

DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 1 | Additional Members: 50 | Rows returned: 141 2 3 Next >> 
LOPAC 00756 0
SPE01503692 0
LAT007G07 0
Prest1291 0
LAT007H07 0
LAT007E08 0

Service provided by the Mike Tyers Laboratory