General Information of the Compound
| Compound ID |
CP0490234
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| Compound Name |
(1R,2R)-5-fluoro-2-[4-(6-fluoro-3,4-dihydro-2H-chromen-8-yl)piperidin-1-yl]-2,3-dihydro-1H-inden-1-ol
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| Structure |
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| Formula |
C23H25F2NO2
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| Molecular Weight |
385.454
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| Canonical SMILES |
O[C@H]1[C@@H](Cc2cc(F)ccc12)N1CCC(CC1)c1cc(F)cc2CCCOc12
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| InChI |
InChI=1S/C23H25F2NO2/c24-17-3-4-19-16(11-17)12-21(22(19)27)26-7-5-14(6-8-26)20-13-18(25)10-15-2-1-9-28-23(15)20/h3-4,10-11,13-14,21-22,27H,1-2,5-9,12H2/t21-,22-/m1/s1
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| InChIKey |
IIGYZZJHNCEURP-FGZHOGPDSA-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