General Information of the Compound
| Compound ID |
CP0492331
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| Compound Name |
(1R,2R)-2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-5,6-difluoro-2,3-dihydro-1H-inden-1-ol
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| Structure |
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| Formula |
C21H22F2N2O3
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| Molecular Weight |
388.414
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| Canonical SMILES |
O[C@H]1[C@@H](Cc2cc(F)c(F)cc12)N1CCN(CC1)c1cccc2OCCOc12
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| InChI |
InChI=1S/C21H22F2N2O3/c22-15-10-13-11-18(20(26)14(13)12-16(15)23)25-6-4-24(5-7-25)17-2-1-3-19-21(17)28-9-8-27-19/h1-3,10,12,18,20,26H,4-9,11H2/t18-,20-/m1/s1
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| InChIKey |
GQMJLAOYTCLHED-UYAOXDASSA-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