General Information of the Compound
| Compound ID |
CP0539847
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| Compound Name |
(1S,2R)-2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-2,3-dihydro-1H-inden-1-ol
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| Structure |
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| Formula |
C21H24N2O3
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| Molecular Weight |
352.434
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| Canonical SMILES |
O[C@@H]1[C@@H](Cc2ccccc12)N1CCN(CC1)c1cccc2OCCOc12
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| InChI |
InChI=1S/C21H24N2O3/c24-20-16-5-2-1-4-15(16)14-18(20)23-10-8-22(9-11-23)17-6-3-7-19-21(17)26-13-12-25-19/h1-7,18,20,24H,8-14H2/t18-,20+/m1/s1
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| InChIKey |
BFXGASGIXHYIDV-QUCCMNQESA-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