General Information of the Compound
| Compound ID |
CP0533074
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| Compound Name |
(3S)-3-amino-1-benzyl-1-[(3S)-3-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-phenylethenyl]azetidin-1-yl]-3-({[3-(trifluoromethyl)phenyl]methyl}carbamoyl)propanoyl]pyrrolidin-1-ium
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| Structure |
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| Formula |
C43H43F3N5O5+
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| Molecular Weight |
766.841
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| Canonical SMILES |
N[C@H]1CC[N+](Cc2ccccc2)(C1)C(=O)C[C@H](N1[C@H](\C=C\c2ccccc2)[C@H](N2[C@H](COC2=O)c2ccccc2)C1=O)C(=O)NCc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C43H42F3N5O5/c44-43(45,46)33-18-10-15-31(23-33)25-48-40(53)36(24-38(52)51(22-21-34(47)27-51)26-30-13-6-2-7-14-30)49-35(20-19-29-11-4-1-5-12-29)39(41(49)54)50-37(28-56-42(50)55)32-16-8-3-9-17-32/h1-20,23,34-37,39H,21-22,24-28,47H2/p+1/b20-19+/t34-,35+,36-,37+,39-,51?/m0/s1
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| InChIKey |
LGFIAHMCUPANBI-JPHGWDDVSA-O
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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