General Information of the Compound
| Compound ID |
CP0726144
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| Compound Name |
N-{3-[Cyclopropyl-(4-hydroxy-2-oxo-5,6,7,8,9,10-hexahydro-2H-cycloocta[b]pyran-3-yl)-methyl]-phenyl}-4-fluoro-benzamide
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| Formula |
C28H28FNO4
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| Molecular Weight |
461.533
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| Canonical SMILES |
O=C(Nc1cccc(C(c2c(O)oc3c(c2=O)CCCCCC3)C2CC2)c1)c1ccc(F)cc1
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| InChI |
InChI=1S/C28H28FNO4/c29-20-14-12-18(13-15-20)27(32)30-21-7-5-6-19(16-21)24(17-10-11-17)25-26(31)22-8-3-1-2-4-9-23(22)34-28(25)33/h5-7,12-17,24,33H,1-4,8-11H2,(H,30,32)
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| InChIKey |
KKXVTWMZBHYBBH-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