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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 Next >> 
Species: 4932
Condition: GPR1
Replicates: 2
Raw OD Value: r im 0.6619±0.0443356
Normalized OD Score: sc h 0.8319±0.0161984
Z-Score: -4.7506±0.16438
p-Value: 0.00000235662
Z-Factor: -0.377468
Fitness Defect: 12.9583
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:8|E4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.50 Celcius
Date:2006-03-02 YYYY-MM-DD
Plate CH Control (+):0.038575±0.00080
Plate DMSO Control (-):0.7821499999999999±0.04082
Plate Z-Factor:0.9403
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DBLink | Rows returned: 282[1] << Back 31 32 33 34 35 36 37 38 39 40  Next >> [47]
6433570 chromium(+2) cation; (E)-octadec-9-enoate
6434104 (E)-nonadec-6-enoic acid
6435829 lead(+2) cation; (E)-octadec-9-enoate
6435897 azane; (E)-octadec-9-enoic acid
6436085 octadecanoate; (E)-octadec-9-enoate; zinc(+2) cation
6436086 (E)-octadec-9-enoate; zinc(+2) cation

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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