General Information of the Compound
| Compound ID |
CP0513897
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| Compound Name |
(4-fluorophenyl)-[7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,3-dihydro-1,4-benzothiazin-4-yl]methanone
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| Structure |
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| Formula |
C18H12F7NO2S
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| Molecular Weight |
439.352
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| Canonical SMILES |
OC(c1ccc2N(CCSc2c1)C(=O)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C18H12F7NO2S/c19-12-4-1-10(2-5-12)15(27)26-7-8-29-14-9-11(3-6-13(14)26)16(28,17(20,21)22)18(23,24)25/h1-6,9,28H,7-8H2
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| InChIKey |
MWKZZLNZAYWJCY-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