| Compound Information | SONAR Target prediction | | Name: | SIMAZINE | | Unique Identifier: | SPE00330028 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 189.561 g/mol | | X log p: | -0.819 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 37.08 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 5 | | Rotatable Bond Count: | 4 | | Canonical Smiles: | CCNc1nc(Cl)nc(NCC)n1 | | Source: | synthetic | | Therapeutics: | herbicide |
| Species: |
4932 |
| Condition: |
AAT2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7128±0.00367696 |
| Normalized OD Score: sc h |
0.9774±0.00532108 |
| Z-Score: |
-1.2035±0.309313 |
| p-Value: |
0.23984 |
| Z-Factor: |
-2.64579 |
| Fitness Defect: |
1.4278 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 11|F7 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.60 Celcius | | Date: | 2008-04-08 YYYY-MM-DD | | Plate CH Control (+): | 0.0403±0.00095 | | Plate DMSO Control (-): | 0.7031749999999999±0.01558 | | Plate Z-Factor: | 0.9242 |
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| DBLink | Rows returned: 3 | |
| 5216 |
6-chloro-N,N--diethyl-1,3,5-triazine-2,4-diamine |
| 18326 |
6-chloro-N-ethyl-N--methyl-1,3,5-triazine-2,4-diamine |
| 5066047 |
(4-chloro-6-ethylamino-1,3,5-triazin-2-yl)-ethyl-azanium |
| internal high similarity DBLink | Rows returned: 2 | |
| active | Cluster 332 | Additional Members: 6 | Rows returned: 0 | |
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