| Compound Information | SONAR Target prediction | | Name: | BILIRUBIN | | Unique Identifier: | SPE01500857 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 548.376 g/mol | | X log p: | 6.098 (online calculus) | | Lipinksi Failures | 2 | | TPSA | 68.28 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 10 | | Rotatable Bond Count: | 12 | | Canonical Smiles: | Cc1c(=O)nc(=Cc2nc(Cc3nc(C=c4nc(=O)c(C=C)c4C)c(C)c3CCC(O)=O)c(CCC(O)=O)
c2C)c1C=C | | Class: | porphyrin | | Source: | pigment mamalian gallstones, blood and urine |
| Species: |
4932 |
| Condition: |
APC9 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7103±0.000141421 |
| Normalized OD Score: sc h |
1.0170±0.00561823 |
| Z-Score: |
0.9266±0.319187 |
| p-Value: |
0.366296 |
| Z-Factor: |
-3.94207 |
| Fitness Defect: |
1.0043 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 6|C6 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 22.90 Celcius | | Date: | 2007-11-22 YYYY-MM-DD | | Plate CH Control (+): | 0.042225±0.00072 | | Plate DMSO Control (-): | 0.688175±0.02109 | | Plate Z-Factor: | 0.8974 |
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| DBLink | Rows returned: 1 | |
| 6433152 |
3-[2-[[3-(2-carboxyethyl)-4-methyl-5-[(E)-(4-methyl-8-oxa-2-azabicyclo[3.3.0]octa-1,4-dien-3-ylidene)met
hyl]-1H-pyrrol-2-yl]methyl]-5-[(E)-(3-ethenyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol
-3-yl]propanoic acid |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 1328 | Additional Members: 1 | Rows returned: 0 | |
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