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: |
TMPPre001 |
Replicates: |
2 |
Raw OD Value: r im |
1419.0000±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 |
| png 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 | |
|