Compound Information | SONAR Target prediction | Name: | CALCEIN | Unique Identifier: | SPE01500763 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | | Molecular Weight: | 596.327 g/mol | X log p: | 12.98 (online calculus) | Lipinksi Failures | 3 | TPSA | 118.13 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 15 | Rotatable Bond Count: | 14 | Canonical Smiles: | OC(=O)CN(CC(O)=O)Cc1cc2c(Oc3cc(=O)c(CN(CC(O)=O)CC(O)=O)cc3=C2c2ccccc2C (O)=O)cc1O | Source: | synthetic | Therapeutics: | chelating agent (Ca, Mg) |
Species: |
4932 |
Condition: |
NBP2 |
Replicates: |
2 |
Raw OD Value: r im |
0.6983±0.0120208 |
Normalized OD Score: sc h |
0.9841±0.00172439 |
Z-Score: |
-0.4010±0.109199 |
p-Value: |
0.68932 |
Z-Factor: |
-4.00091 |
Fitness Defect: |
0.372 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 21|D3 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 25.00 Celcius | Date: | 2006-02-17 YYYY-MM-DD | Plate CH Control (+): | 0.039575±0.00201 | Plate DMSO Control (-): | 0.6801±0.01757 | Plate Z-Factor: | 0.9300 |
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DBLink | Rows returned: 0 | |
internal high similarity DBLink | Rows returned: 0 | |
active | Cluster 15409 | Additional Members: 1 | Rows returned: 0 | |
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