General Information of the Compound
| Compound ID |
CP0552423
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| Compound Name |
4-(2-hydroxy-3-(piperidin-1-yl)propoxy)-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 |
OC(COc1cccc2C(=O)CCc12)CN1CCCCC1
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| InChI |
InChI=1S/C17H23NO3/c19-13(11-18-9-2-1-3-10-18)12-21-17-6-4-5-14-15(17)7-8-16(14)20/h4-6,13,19H,1-3,7-12H2
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| InChIKey |
SESZDMBIMAFNPN-UHFFFAOYSA-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