General Information of the Compound
| Compound ID |
CP0342700
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| Compound Name |
(6R)-3-[(1S)-1-[4-(4-fluorophenyl)phenyl]propyl]-6-(3-hydroxypropyl)-6-phenyl-1,3-oxazinan-2-one
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| Structure |
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| Formula |
C28H30FNO3
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| Molecular Weight |
447.55
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| Canonical SMILES |
CC[C@H](N1CC[C@@](CCCO)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C28H30FNO3/c1-2-26(23-11-9-21(10-12-23)22-13-15-25(29)16-14-22)30-19-18-28(17-6-20-31,33-27(30)32)24-7-4-3-5-8-24/h3-5,7-16,26,31H,2,6,17-20H2,1H3/t26-,28+/m0/s1
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| InChIKey |
ZASJMILIAPSNCZ-XTEPFMGCSA-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