General Information of the Compound
| Compound ID |
CP0575376
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| Compound Name |
1-[4-[(2S)-2-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-4-methyl-2H-chromen-3-yl]piperidin-1-yl]ethanone
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| Structure |
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| Formula |
C29H35FN2O4
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| Molecular Weight |
494.607
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| Canonical SMILES |
CC(=O)N1CCC(CC1)C1=C(C)c2cc(O)ccc2O[C@H]1c1ccc(OCCN2CC(CF)C2)cc1
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| InChI |
InChI=1S/C29H35FN2O4/c1-19-26-15-24(34)5-8-27(26)36-29(28(19)22-9-11-32(12-10-22)20(2)33)23-3-6-25(7-4-23)35-14-13-31-17-21(16-30)18-31/h3-8,15,21-22,29,34H,9-14,16-18H2,1-2H3/t29-/m0/s1
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| InChIKey |
ASHIUGJZVZKVGV-LJAQVGFWSA-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