General Information of the Compound
| Compound ID |
CP0902352
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| Compound Name |
7-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]-2,3-dihydroinden-1-one
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| Structure |
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| Formula |
C17H23NO3
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| Molecular Weight |
289.375
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| Canonical SMILES |
O=C1CCc2cccc(OC[C@H](O)CN3CCCCC3)c21
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| InChI |
InChI=1S/C17H23NO3/c19-14(11-18-9-2-1-3-10-18)12-21-16-6-4-5-13-7-8-15(20)17(13)16/h4-6,14,19H,1-3,7-12H2/t14-/m1/s1
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| InChIKey |
YMVZHRHXNWZPAA-CQSZACIVSA-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