General Information of the Compound
| Compound ID |
CP0957706
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| Compound Name |
1-(3-Fluoro-pyridin-4-yl)-2-methyl-1,4-dihydro-2H-3-thia-2,4,5-triaza-phenanthrene3,3-dioxide
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| Structure |
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| Formula |
C16H13FN4O2S
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| Molecular Weight |
344.371
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| Canonical SMILES |
CN1C(c2ccncc2F)c2ccc3cccnc3c2NS1(=O)=O
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| InChI |
InChI=1S/C16H13FN4O2S/c1-21-16(11-6-8-18-9-13(11)17)12-5-4-10-3-2-7-19-14(10)15(12)20-24(21,22)23/h2-9,16,20H,1H3
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| InChIKey |
STMAMWKIGUATRK-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