General Information of the Compound
| Compound ID |
CP0536793
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| Compound Name |
(S)-N-(3-(trifluoromethyl)benzyl)-4-oxo-3-((3S,4R)-2-oxo-3-((S)-2-oxo-4-phenyloxazolidin-3-yl)-4-((E)-styryl)azetidin-1-yl)-4-(4-phenethylpiperazin-1-yl)butanamide
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| Structure |
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| Formula |
C44H44F3N5O5
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| Molecular Weight |
779.86
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| Canonical SMILES |
FC(F)(F)c1cccc(CNC(=O)C[C@H](N2[C@H](\C=C\c3ccccc3)[C@H](N3[C@H](COC3=O)c3ccccc3)C2=O)C(=O)N2CCN(CCc3ccccc3)CC2)c1
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| InChI |
InChI=1S/C44H44F3N5O5/c45-44(46,47)35-18-10-15-33(27-35)29-48-39(53)28-37(41(54)50-25-23-49(24-26-50)22-21-32-13-6-2-7-14-32)51-36(20-19-31-11-4-1-5-12-31)40(42(51)55)52-38(30-57-43(52)56)34-16-8-3-9-17-34/h1-20,27,36-38,40H,21-26,28-30H2,(H,48,53)/b20-19+/t36-,37+,38-,40+/m1/s1
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| InChIKey |
PBYXSJCYHSKILU-XFKFVYQCSA-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