General Information of the Compound
| Compound ID |
CP0509094
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| Compound Name |
(6S)-3-[(1S)-1-[4-(4-fluorophenyl)phenyl]ethyl]-6-(2-hydroxyethyl)-6-phenyl-1,3-oxazinan-2-one
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| Structure |
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| Formula |
C26H26FNO3
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| Molecular Weight |
419.496
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| Canonical SMILES |
C[C@H](N1CC[C@@](CCO)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C26H26FNO3/c1-19(20-7-9-21(10-8-20)22-11-13-24(27)14-12-22)28-17-15-26(16-18-29,31-25(28)30)23-5-3-2-4-6-23/h2-14,19,29H,15-18H2,1H3/t19-,26-/m0/s1
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| InChIKey |
IROTYPHWZUZEAY-SIBVEZHUSA-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