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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 51 52 53 54 55 56 57 58 59 60  Next >> [205]
Species: 4932
Condition: KEM1
Replicates: 2
Raw OD Value: r im 0.6177±0.00692965
Normalized OD Score: sc h 1.0309±0.0138178
Z-Score: 1.2834±0.621271
p-Value: 0.241774
Z-Factor: -3.01146
Fitness Defect: 1.4198
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:11|B7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.70 Celcius
Date:2008-05-08 YYYY-MM-DD
Plate CH Control (+):0.0411±0.00070
Plate DMSO Control (-):0.5879±0.01774
Plate Z-Factor:0.9077
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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

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