General Information of the Compound
| Compound ID |
CP0524324
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| Compound Name |
(1R,2R)-2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-1-yl]-5,6-dimethoxy-2,3-dihydro-1H-inden-1-ol
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| Structure |
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| Formula |
C24H29NO5
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| Molecular Weight |
411.498
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| Canonical SMILES |
COc1cc2C[C@H]([C@H](O)c2cc1OC)N1CCC(CC1)c1cccc2OCCOc12
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| InChI |
InChI=1S/C24H29NO5/c1-27-21-13-16-12-19(23(26)18(16)14-22(21)28-2)25-8-6-15(7-9-25)17-4-3-5-20-24(17)30-11-10-29-20/h3-5,13-15,19,23,26H,6-12H2,1-2H3/t19-,23-/m1/s1
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| InChIKey |
GDTLAFJXRJCXAH-AUSIDOKSSA-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