General Information of the Compound
| Compound ID |
CP0962715
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| Compound Name |
1-(4-Fluoro-phenyl)-1,4-dihydro-2H-3-thia-2,4,5-triaza-phenanthrene 3,3-dioxide
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| Structure |
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| Formula |
C16H12FN3O2S
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| Molecular Weight |
329.356
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| Canonical SMILES |
O=S1(=O)Nc2c(ccc3cccnc23)C(c2ccc(F)cc2)N1
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| InChI |
InChI=1S/C16H12FN3O2S/c17-12-6-3-11(4-7-12)14-13-8-5-10-2-1-9-18-15(10)16(13)20-23(21,22)19-14/h1-9,14,19-20H
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| InChIKey |
VKUXPZOMELNKSN-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