General Information of the Compound
| Compound ID |
CP0476048
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| Compound Name |
(1S,2R)-2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-5-methoxy-2,3-dihydro-1H-inden-1-ol
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| Structure |
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| Formula |
C22H26N2O4
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| Molecular Weight |
382.46
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| Canonical SMILES |
COc1ccc2[C@H](O)[C@@H](Cc2c1)N1CCN(CC1)c1cccc2OCCOc12
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| InChI |
InChI=1S/C22H26N2O4/c1-26-16-5-6-17-15(13-16)14-19(21(17)25)24-9-7-23(8-10-24)18-3-2-4-20-22(18)28-12-11-27-20/h2-6,13,19,21,25H,7-12,14H2,1H3/t19-,21+/m1/s1
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| InChIKey |
GMBUBVLUQFAQMU-CTNGQTDRSA-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