| Compound Information | SONAR Target prediction | | Name: | Doxazosin mesylate | | Unique Identifier: | Prest1026 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C24H29N5O8S | | Molecular Weight: | 518.352 g/mol | | X log p: | 13.101 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 85.19 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 10 | | Rotatable Bond Count: | 5 | | Canonical Smiles: | COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2ccccc2O1.CS(O)(=O)=O |
| Species: |
9606 |
| Condition: |
TMPPre001 |
| Replicates: |
2 |
| Raw OD Value: r im |
937.0000±0 |
| Normalized OD Score: sc h |
0.9667±0 |
| Z-Score: |
-0.7498±0 |
| p-Value: |
0.453394 |
| Z-Factor: |
-10.6086 |
| Fitness Defect: |
0.791 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Prestwick | | Plate Number and Position: | 11|F9 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 0 nm | | Robot Temperature: | 23.20 Celcius | | Date: | 2006-10-10 YYYY-MM-DD | | Plate CH Control (+): | 853.5±701.09504 | | Plate DMSO Control (-): | 849±311.18603 | | Plate Z-Factor: | -72.3031 |
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ps
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| DBLink | Rows returned: 3 | |
| 62978 |
[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-(7,10-dioxabicyclo[4.4.0]deca-1,3,5-trien-9-yl
)methanone; methanesulfonic acid |
| 6604101 |
[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-[(9R)-7,10-dioxabicyclo[4.4.0]deca-1,3,5-trien
-9-yl]methanone; methanesulfonic acid |
| 6604575 |
[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-[(9S)-7,10-dioxabicyclo[4.4.0]deca-1,3,5-trien
-9-yl]methanone; methanesulfonic acid |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 11747 | Additional Members: 10 | Rows returned: 1 | |
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