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Compound InformationSONAR Target prediction
Name:

PSOROMIC ACID

Unique Identifier:SPE00200040
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C18H14O8
Molecular Weight:344.188 g/mol
X log p:6.389  (online calculus)
Lipinksi Failures1
TPSA78.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:8
Rotatable Bond Count:3
Canonical Smiles:COc1cc(C(O)=O)c2Oc3c(C=O)c(O)cc(C)c3C(=O)Oc2c1C
Source:mp 270-272 C
Reference:J Pharm Soc Japan 59, 323 (1939)

Found: 7 active | as graph: single | with analogs << Back 1 2 3 4 5 6 7
Species: 4932
Condition: MDH1
Replicates: 2
Raw OD Value: r im 0.6925±0.0039598
Normalized OD Score: sc h 0.9114±0.0341054
Z-Score: -4.9776±1.37281
p-Value: 0.0000307694
Z-Factor: -1.13065
Fitness Defect: 10.389
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:3|E5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.00 Celcius
Date:2007-08-07 YYYY-MM-DD
Plate CH Control (+):0.040150000000000005±0.00041
Plate DMSO Control (-):0.746675±0.02229
Plate Z-Factor:0.9287
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DBLink | Rows returned: 1
23725

internal high similarity DBLink | Rows returned: 2
SPE00200489 0.9262
SPE01504106 0.9796

active | Cluster 8237 | Additional Members: 3 | Rows returned: 1
SPE01504106 0

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