General Information of the Compound
| Compound ID |
CP0952643
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| Compound Name |
1-[1-(4-Fluoro-phenyl)-2-methyl-3,3-dioxo-1,2,3,4-tetrahydro-3lambda6-thia-2,4,5-triaza-phenanthren-9-yl]-ethanol
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| Structure |
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| Formula |
C19H18FN3O3S
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| Molecular Weight |
387.436
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| Canonical SMILES |
CC(O)c1cc2c(c3ncccc13)NS(=O)(=O)N(C)C2c1ccc(F)cc1
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| InChI |
InChI=1S/C19H18FN3O3S/c1-11(24)15-10-16-18(17-14(15)4-3-9-21-17)22-27(25,26)23(2)19(16)12-5-7-13(20)8-6-12/h3-11,19,22,24H,1-2H3
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| InChIKey |
OXSHPRQRTWXUSL-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound