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Compound InformationSONAR Target prediction
Name:

CHOL-11-ENIC ACID

Unique Identifier:SPE01500856
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C24H36O3
Molecular Weight:337.263 g/mol
X log p:4.247  (online calculus)
Lipinksi Failures0
TPSA34.14
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:4
Canonical Smiles:CC(CCC(O)=O)C1CCC2C3CCC4CC(=O)CCC4(C)C3C=CC12C
Generic_name:OLEIC ACID
Chemical_iupac_name:OLEIC ACID
Drug_type:Experimental
Kegg_compound_id:C00712
Drugbank_id:EXPT02430
Logp:6.036
Cas_registry_number:112-80-1
Drug_category:Serum Albumin inhibitor
Organisms_affected:-1

Found: 4 active | as graph: single | with analogs << Back 1 2 3 4
Species: 4932
Condition: SER1
Replicates: 2
Raw OD Value: r im 0.4464±0.00954594
Normalized OD Score: sc h 0.7950±0.00434758
Z-Score: -6.4595±0.0403573
p-Value: 0.000000000106887
Z-Factor: -2.38153
Fitness Defect: 22.9592
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:8|E4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.70 Celcius
Date:2007-09-17 YYYY-MM-DD
Plate CH Control (+):0.040025000000000005±0.00056
Plate DMSO Control (-):0.56445±0.09310
Plate Z-Factor:0.4138
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DBLink | Rows returned: 282[1] << Back 31 32 33 34 35 36 37 38 39 40  Next >> [47]
5362745 (E)-tetradec-11-enoic acid
5364410 (E)-8-methyltetradec-9-enoic acid
5460221 (E)-octadec-9-enoate
5460982 (E)-docos-11-enoate
5460984 (E)-icos-11-enoate
5460986 (E)-icos-9-enoate

internal high similarity DBLink | Rows returned: 5
SPE00100550 0.9091
SPE01800031 0.9091
BTBG 00247 0.9524
LOPAC 01105 1.0000
SPE00310016 1.0000

active | Cluster 15990 | Additional Members: 2 | Rows returned: 1
SPE01500848 0.325

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