General Information of the Compound
| Compound ID |
CP0498622
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| Compound Name |
methyl 2-[(2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]acetate
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| Structure |
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| Formula |
C23H23F6NO3
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| Molecular Weight |
475.429
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| Canonical SMILES |
COC(=O)CN1CCC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c1ccccc1
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| InChI |
InChI=1S/C23H23F6NO3/c1-32-20(31)13-30-9-5-8-19(21(30)16-6-3-2-4-7-16)33-14-15-10-17(22(24,25)26)12-18(11-15)23(27,28)29/h2-4,6-7,10-12,19,21H,5,8-9,13-14H2,1H3/t19-,21-/m0/s1
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| InChIKey |
TXKRGEZLDVMKKQ-FPOVZHCZSA-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