General Information of the Compound
| Compound ID |
CP0399743
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| Compound Name |
(1R,2R)-2-[4-(2,3-dihydro-1-benzofuran-7-yl)piperidin-1-yl]-5-fluoro-2,3-dihydro-1H-inden-1-ol
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| Structure |
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| Formula |
C22H24FNO2
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| Molecular Weight |
353.437
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| Canonical SMILES |
O[C@H]1[C@@H](Cc2cc(F)ccc12)N1CCC(CC1)c1cccc2CCOc12
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| InChI |
InChI=1S/C22H24FNO2/c23-17-4-5-18-16(12-17)13-20(21(18)25)24-9-6-14(7-10-24)19-3-1-2-15-8-11-26-22(15)19/h1-5,12,14,20-21,25H,6-11,13H2/t20-,21-/m1/s1
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| InChIKey |
SXTSCSDLHDMAOP-NHCUHLMSSA-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