General Information of the Compound
| Compound ID |
CP0459703
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| Compound Name |
1,1,1,3,3,3-hexafluoro-2-(1-(phenylsulfonyl)-1,2,3,4-tetrahydroquinolin-6-yl)propan-2-ol
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| Structure |
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| Formula |
C18H15F6NO3S
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| Molecular Weight |
439.377
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| Canonical SMILES |
OC(c1ccc2N(CCCc2c1)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C18H15F6NO3S/c19-17(20,21)16(26,18(22,23)24)13-8-9-15-12(11-13)5-4-10-25(15)29(27,28)14-6-2-1-3-7-14/h1-3,6-9,11,26H,4-5,10H2
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| InChIKey |
RQWNCTCLCHQGGW-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