General Information of the Compound
| Compound ID |
CP0508854
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| Compound Name |
4-fluoro-7-[2-hydroxy-3-spiro[1,3-dihydrobenzo[e]isobenzofuran-3,4'-(hexahydropyridine)]-1-ylpropoxy]-1-indanone
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| Structure |
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| Formula |
C28H28FNO4
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| Molecular Weight |
461.533
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| Canonical SMILES |
OC(COc1ccc(F)c2CCC(=O)c12)CN1CCC2(CC1)OCc1c2ccc2ccccc12
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| InChI |
InChI=1S/C28H28FNO4/c29-24-8-10-26(27-21(24)6-9-25(27)32)33-16-19(31)15-30-13-11-28(12-14-30)23-7-5-18-3-1-2-4-20(18)22(23)17-34-28/h1-5,7-8,10,19,31H,6,9,11-17H2
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| InChIKey |
ZAPJYPXIPRXXNB-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