General Information of the Compound
| Compound ID |
CP0086590
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| Compound Name |
(6R)-6-(2-fluorophenyl)-3-[(1S)-1-[4-(4-fluorophenyl)phenyl]ethyl]-6-(3-hydroxypropyl)-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)c1ccccc1F)c1ccc(cc1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C27H27F2NO3/c1-19(20-7-9-21(10-8-20)22-11-13-23(28)14-12-22)30-17-16-27(15-4-18-31,33-26(30)32)24-5-2-3-6-25(24)29/h2-3,5-14,19,31H,4,15-18H2,1H3/t19-,27+/m0/s1
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| InChIKey |
XYMFJLWCTXMXHU-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