General Information of the Compound
| Compound ID |
CP0453178
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| Compound Name |
1-(2-fluorophenoxy)-3-spiro[1,3-dihydrobenzo[e]isobenzofuran-3,4'-(hexahydropyridine)]-1-yl-(2R)-propan-2-ol
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| Structure |
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| Formula |
C25H26FNO3
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| Molecular Weight |
407.485
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| Canonical SMILES |
O[C@@H](COc1ccccc1F)CN1CCC2(CC1)OCc1c2ccc2ccccc12
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| InChI |
InChI=1S/C25H26FNO3/c26-23-7-3-4-8-24(23)29-16-19(28)15-27-13-11-25(12-14-27)22-10-9-18-5-1-2-6-20(18)21(22)17-30-25/h1-10,19,28H,11-17H2/t19-/m1/s1
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| InChIKey |
KEVOVRYMDHRZOO-LJQANCHMSA-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