General Information of the Compound
| Compound ID |
CP0513390
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| Compound Name |
3-fluoro-N-[1-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]piperidin-4-yl]benzenesulfonamide
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| Structure |
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| Formula |
C23H31FN2O4S
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| Molecular Weight |
450.576
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| Canonical SMILES |
CC(C)c1ccccc1OCC(O)CN1CCC(CC1)NS(=O)(=O)c1cccc(F)c1
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| InChI |
InChI=1S/C23H31FN2O4S/c1-17(2)22-8-3-4-9-23(22)30-16-20(27)15-26-12-10-19(11-13-26)25-31(28,29)21-7-5-6-18(24)14-21/h3-9,14,17,19-20,25,27H,10-13,15-16H2,1-2H3
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| InChIKey |
KHUCESLAHQBKOQ-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