General Information of the Compound
| Compound ID |
CP0316007
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| Compound Name |
N-[3-[(6R)-3-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]propyl]methanesulfonamide
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| Structure |
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| Formula |
C28H29F3N2O4S
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| Molecular Weight |
546.611
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| Canonical SMILES |
C[C@H](N1CC[C@@](CCCNS(C)(=O)=O)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1F
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| InChI |
InChI=1S/C28H29F3N2O4S/c1-19(20-4-6-21(7-5-20)25-13-12-24(30)18-26(25)31)33-17-15-28(37-27(33)34,14-3-16-32-38(2,35)36)22-8-10-23(29)11-9-22/h4-13,18-19,32H,3,14-17H2,1-2H3/t19-,28+/m0/s1
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| InChIKey |
SDPGWJVXVCTHJY-HMILPKGGSA-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