General Information of the Compound
| Compound ID |
CP0406583
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| Compound Name |
4-amino-1-benzyl-1-{2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-phenylethenyl]azetidin-1-yl]-2-({[3-(trifluoromethyl)phenyl]methyl}carbamoyl)acetyl}piperidin-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 |
NC1CC[N+](Cc2ccccc2)(CC1)C(=O)C(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(25-33)26-48-39(52)38(41(54)51(23-21-34(47)22-24-51)27-30-13-6-2-7-14-30)49-35(20-19-29-11-4-1-5-12-29)37(40(49)53)50-36(28-56-42(50)55)32-16-8-3-9-17-32/h1-20,25,34-38H,21-24,26-28,47H2/p+1/b20-19+/t34?,35-,36-,37+,38?,51?/m1/s1
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| InChIKey |
FVCBAAGJGGQNHN-MHHJXANESA-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