General Information of the Compound
| Compound ID |
CP0513895
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| Compound Name |
2-[4-[dihydroxy-(4-methoxyphenyl)-lambda4-sulfanyl]-2,3-dihydro-1,4-benzothiazin-7-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
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| Structure |
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| Formula |
C18H17F6NO4S2
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| Molecular Weight |
489.459
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| Canonical SMILES |
COc1ccc(cc1)S(O)(O)N1CCSc2cc(ccc12)C(O)(C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C18H17F6NO4S2/c1-29-12-3-5-13(6-4-12)31(27,28)25-8-9-30-15-10-11(2-7-14(15)25)16(26,17(19,20)21)18(22,23)24/h2-7,10,26-28H,8-9H2,1H3
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| InChIKey |
FFHSVTVSFKWYGU-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