General Information of the Compound
| Compound ID |
CP0501566
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| Compound Name |
3-[(6R)-3-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]-N-methylpropanamide
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| Structure |
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| Formula |
C28H27F3N2O3
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| Molecular Weight |
496.529
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| Canonical SMILES |
CNC(=O)CC[C@@]1(CCN([C@@H](C)c2ccc(cc2)-c2ccc(F)cc2F)C(=O)O1)c1ccc(F)cc1
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| InChI |
InChI=1S/C28H27F3N2O3/c1-18(19-3-5-20(6-4-19)24-12-11-23(30)17-25(24)31)33-16-15-28(36-27(33)35,14-13-26(34)32-2)21-7-9-22(29)10-8-21/h3-12,17-18H,13-16H2,1-2H3,(H,32,34)/t18-,28+/m0/s1
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| InChIKey |
NFVVTQZIFUGHIN-XDBZFTIUSA-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