General Information of the Compound
| Compound ID |
CP0408972
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| Compound Name |
1,1,1,3,3,3-hexafluoro-2-[4-[(4-fluorophenyl)methyl]-2,3-dihydro-1,4-benzothiazin-7-yl]propan-2-ol
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| Structure |
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| Formula |
C18H14F7NOS
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| Molecular Weight |
425.369
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| Canonical SMILES |
OC(c1ccc2N(Cc3ccc(F)cc3)CCSc2c1)(C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C18H14F7NOS/c19-13-4-1-11(2-5-13)10-26-7-8-28-15-9-12(3-6-14(15)26)16(27,17(20,21)22)18(23,24)25/h1-6,9,27H,7-8,10H2
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| InChIKey |
OSSXLCUOJKSHKJ-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