Compound Information | SONAR Target prediction | Name: | Benzathine benzylpenicillin | Unique Identifier: | Prest1196 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | C48H56N6O10S2 | Molecular Weight: | 888.712 g/mol | X log p: | 8.955 (online calculus) | Lipinksi Failures | 1 | TPSA | 88.98 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 7 | Rotatable Bond Count: | 6 | Canonical Smiles: | CC1(C)SC2C(NC(=O)COc3ccccc3)C(=O)N2C1C(O)=O.CC1(C)SC2C(NC(=O)COc3ccccc 3)C(=O)N2C1C(O)=O.C(CNCc1ccccc1)NCc1ccccc1 |
Species: |
9606 |
Condition: |
TMPPre001 |
Replicates: |
2 |
Raw OD Value: r im |
804.0000±0 |
Normalized OD Score: sc h |
0.9362±0 |
Z-Score: |
-1.4380±0 |
p-Value: |
0.150443 |
Z-Factor: |
-9.79671 |
Fitness Defect: |
1.8942 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Prestwick | Plate Number and Position: | 13|G9 | Drug Concentration: | 50.00 nM | OD Absorbance: | 0 nm | Robot Temperature: | 23.50 Celcius | Date: | 2006-10-10 YYYY-MM-DD | Plate CH Control (+): | 727.5±605.08760 | Plate DMSO Control (-): | 773±261.27974 | Plate Z-Factor: | -83.4256 |
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DBLink | Rows returned: 2 | |
64725 |
N,N--dibenzylethane-1,2-diamine; (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
6713998 |
N,N--dibenzylethane-1,2-diamine; (5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
internal high similarity DBLink | Rows returned: 0 | |
active | Cluster 15024 | Additional Members: 10 | Rows returned: 3 | |
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