| Compound Information | SONAR Target prediction | | Name: | Doxorubicin hydrochloride | | Unique Identifier: | Prest188 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C27ClH30NO11 | | Molecular Weight: | 549.742 g/mol | | X log p: | 3.563 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 78.9 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 12 | | Rotatable Bond Count: | 5 | | Canonical Smiles: | Cl.COc1cccc2c(=O)c3c(O)c4CC(O)(CC(OC5CC(N)C(O)C(C)O5)c4c(O)c3c(=O)c12)
C(=O)CO |
| Species: |
9606 |
| Condition: |
TMPPre002 |
| Replicates: |
2 |
| Raw OD Value: r im |
3683.5000±0 |
| Normalized OD Score: sc h |
0.6908±0 |
| Z-Score: |
-6.9704±0 |
| p-Value: |
0.00000000000316026 |
| Z-Factor: |
-2.69011 |
| Fitness Defect: |
26.4804 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | Prestwick | | Plate Number and Position: | 6|D9 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 0 nm | | Robot Temperature: | 24.00 Celcius | | Date: | 2006-10-10 YYYY-MM-DD | | Plate CH Control (+): | 1009.5±953.84240 | | Plate DMSO Control (-): | 2021±558.06298 | | Plate Z-Factor: | -4.4864 |
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ps
pdf |
| DBLink | Rows returned: 1 | |
| 31703 |
(8S,10S)-10-[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-oxan-2-yl]oxy-6,8,11-trihydroxy-8-(2-hydroxyacetyl
)-1-methoxy-9,10-dihydro-7H-tetracene-5,12-dione |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 5481 | Additional Members: 8 | Rows returned: 5 | |
|
