General Information of the Compound
| Compound ID |
CP0406089
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| Compound Name |
N-[(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]methanesulfonamide
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| Structure |
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| Formula |
C23H26F6N2O3S
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| Molecular Weight |
524.527
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| Canonical SMILES |
C[C@@H](OC[C@]1(CC[C@@H](CN1)NS(C)(=O)=O)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C23H26F6N2O3S/c1-15(16-10-18(22(24,25)26)12-19(11-16)23(27,28)29)34-14-21(17-6-4-3-5-7-17)9-8-20(13-30-21)31-35(2,32)33/h3-7,10-12,15,20,30-31H,8-9,13-14H2,1-2H3/t15-,20+,21-/m1/s1
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| InChIKey |
NWFGQNMZQBTILZ-GQWLDOHISA-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