General Information of the Compound
| Compound ID |
CP0939780
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| Compound Name |
[3-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]phenyl]-phenylmethanone
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| Structure |
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| Formula |
C21H25NO3
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| Molecular Weight |
339.435
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| Canonical SMILES |
O=C(c1ccccc1)c1cccc(OC[C@H](O)CN2CCCCC2)c1
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| InChI |
InChI=1S/C21H25NO3/c23-19(15-22-12-5-2-6-13-22)16-25-20-11-7-10-18(14-20)21(24)17-8-3-1-4-9-17/h1,3-4,7-11,14,19,23H,2,5-6,12-13,15-16H2/t19-/m1/s1
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| InChIKey |
MPTXJQOIMPAXMB-LJQANCHMSA-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