General Information of the Compound
| Compound ID |
CP0848195
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| Compound Name |
(2R)-1-[2-[(1R)-1-[(2-methylpropan-2-yl)oxy]-3-phenylpropyl]phenoxy]-3-piperidin-1-ylpropan-2-ol
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| Structure |
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| Formula |
C27H39NO3
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| Molecular Weight |
425.613
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| Canonical SMILES |
CC(C)(C)O[C@H](CCc1ccccc1)c1ccccc1OC[C@H](O)CN1CCCCC1
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| InChI |
InChI=1S/C27H39NO3/c1-27(2,3)31-26(17-16-22-12-6-4-7-13-22)24-14-8-9-15-25(24)30-21-23(29)20-28-18-10-5-11-19-28/h4,6-9,12-15,23,26,29H,5,10-11,16-21H2,1-3H3/t23-,26-/m1/s1
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| InChIKey |
FOPMMEATYUWXQX-ZEQKJWHPSA-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