General Information of the Compound
| Compound ID |
CP0942742
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| Compound Name |
(2R)-1-[2-[(1R)-1-methoxy-3-phenylpropyl]phenoxy]-3-piperidin-1-ylpropan-2-ol
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| Structure |
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| Formula |
C24H33NO3
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| Molecular Weight |
383.532
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| Canonical SMILES |
CO[C@H](CCc1ccccc1)c1ccccc1OC[C@H](O)CN1CCCCC1
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| InChI |
InChI=1S/C24H33NO3/c1-27-23(15-14-20-10-4-2-5-11-20)22-12-6-7-13-24(22)28-19-21(26)18-25-16-8-3-9-17-25/h2,4-7,10-13,21,23,26H,3,8-9,14-19H2,1H3/t21-,23-/m1/s1
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| InChIKey |
IBROBEZGYAHQTA-FYYLOGMGSA-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