General Information of the Compound
| Compound ID |
CP0393094
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| Compound Name |
1-(5-fluoro-3,4-dihydro-2H-8-chromenyloxy)-3-spiro[1,3-dihydrobenzo[e]isobenzofuran-3,4'-(hexahydropyridine)]-1-yl-2-propanol
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| Structure |
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| Formula |
C28H30FNO4
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| Molecular Weight |
463.549
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| Canonical SMILES |
OC(COc1ccc(F)c2CCCOc12)CN1CCC2(CC1)OCc1c2ccc2ccccc12
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| InChI |
InChI=1S/C28H30FNO4/c29-25-9-10-26(27-22(25)6-3-15-32-27)33-17-20(31)16-30-13-11-28(12-14-30)24-8-7-19-4-1-2-5-21(19)23(24)18-34-28/h1-2,4-5,7-10,20,31H,3,6,11-18H2
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| InChIKey |
NSNNZSICHPTFIP-UHFFFAOYSA-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