General Information of the Compound
| Compound ID |
CP0227029
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| Compound Name |
(6R)-3-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-6-(3-hydroxypropyl)-6-phenyl-1,3-oxazinan-2-one
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| Structure |
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| Formula |
C27H27F2NO3
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| Molecular Weight |
451.513
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| Canonical SMILES |
C[C@H](N1CC[C@@](CCCO)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(F)cc1F
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| InChI |
InChI=1S/C27H27F2NO3/c1-19(20-8-10-21(11-9-20)24-13-12-23(28)18-25(24)29)30-16-15-27(14-5-17-31,33-26(30)32)22-6-3-2-4-7-22/h2-4,6-13,18-19,31H,5,14-17H2,1H3/t19-,27+/m0/s1
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| InChIKey |
PDBVUENMKQBWQZ-UZTOHYMASA-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