General Information of the Compound
| Compound ID |
CP0525730
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| Compound Name |
(S)-N1-(3-(trifluoromethyl)benzyl)-2-((3S,4R)-2-oxo-3-((S)-2-oxo-4-phenyloxazolidin-3-yl)-4-((E)-styryl)azetidin-1-yl)-N5-(2-(piperidin-1-yl)ethyl)pentanediamide
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| Structure |
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| Formula |
C40H44F3N5O5
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| Molecular Weight |
731.816
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| Canonical SMILES |
FC(F)(F)c1cccc(CNC(=O)[C@H](CCC(=O)NCCN2CCCCC2)N2[C@H](\C=C\c3ccccc3)[C@H](N3[C@H](COC3=O)c3ccccc3)C2=O)c1
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| InChI |
InChI=1S/C40H44F3N5O5/c41-40(42,43)31-16-10-13-29(25-31)26-45-37(50)33(19-20-35(49)44-21-24-46-22-8-3-9-23-46)47-32(18-17-28-11-4-1-5-12-28)36(38(47)51)48-34(27-53-39(48)52)30-14-6-2-7-15-30/h1-2,4-7,10-18,25,32-34,36H,3,8-9,19-24,26-27H2,(H,44,49)(H,45,50)/b18-17+/t32-,33+,34-,36+/m1/s1
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| InChIKey |
ZVAVUJMYZHTFDE-SUOHFUSSSA-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