General Information of the Compound
| Compound ID |
CP0282222
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| Compound Name |
(6R)-6-(3-aminopropyl)-3-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-6-(4-fluorophenyl)-1,3-oxazinan-2-one
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| Structure |
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| Formula |
C27H27F3N2O2
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| Molecular Weight |
468.519
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| Canonical SMILES |
C[C@H](N1CC[C@@](CCCN)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1F
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| InChI |
InChI=1S/C27H27F3N2O2/c1-18(19-3-5-20(6-4-19)24-12-11-23(29)17-25(24)30)32-16-14-27(13-2-15-31,34-26(32)33)21-7-9-22(28)10-8-21/h3-12,17-18H,2,13-16,31H2,1H3/t18-,27+/m0/s1
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| InChIKey |
CMLGYKTUOFEFSU-XRHLQHRESA-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