General Information of the Compound
| Compound ID |
CP0408914
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| Compound Name |
1-(6-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(COc1cc(F)cc2CCCOc12)CN1CCC2(CC1)OCc1c2ccc2ccccc12
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| InChI |
InChI=1S/C28H30FNO4/c29-21-14-20-5-3-13-32-27(20)26(15-21)33-17-22(31)16-30-11-9-28(10-12-30)25-8-7-19-4-1-2-6-23(19)24(25)18-34-28/h1-2,4,6-8,14-15,22,31H,3,5,9-13,16-18H2
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| InChIKey |
VHHQYCSMTQAWIB-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