General Information of the Compound
| Compound ID |
CP0562612
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| Compound Name |
2-[4-[dihydroxy(pyridin-3-yl)-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 |
C16H14F6N2O3S2
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| Molecular Weight |
460.421
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| Canonical SMILES |
OC(c1ccc2N(CCSc2c1)S(O)(O)c1cccnc1)(C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C16H14F6N2O3S2/c17-15(18,19)14(25,16(20,21)22)10-3-4-12-13(8-10)28-7-6-24(12)29(26,27)11-2-1-5-23-9-11/h1-5,8-9,25-27H,6-7H2
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| InChIKey |
MSVJTBZJMOGSJM-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