General Information of the Compound
| Compound ID |
CP0538405
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| Compound Name |
(S)-N-(3-(trifluoromethyl)benzyl)-5-oxo-2-((3S,4R)-2-oxo-3-((S)-2-oxo-4-phenyloxazolidin-3-yl)-4-((E)-styryl)azetidin-1-yl)-5-(4-(2-(piperidin-1-yl)ethyl)piperidin-1-yl)pentanamide
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| Structure |
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| Formula |
C45H52F3N5O5
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| Molecular Weight |
799.935
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| Canonical SMILES |
FC(F)(F)c1cccc(CNC(=O)[C@H](CCC(=O)N2CCC(CCN3CCCCC3)CC2)N2[C@H](\C=C\c3ccccc3)[C@H](N3[C@H](COC3=O)c3ccccc3)C2=O)c1
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| InChI |
InChI=1S/C45H52F3N5O5/c46-45(47,48)36-16-10-13-34(29-36)30-49-42(55)38(19-20-40(54)51-27-22-33(23-28-51)21-26-50-24-8-3-9-25-50)52-37(18-17-32-11-4-1-5-12-32)41(43(52)56)53-39(31-58-44(53)57)35-14-6-2-7-15-35/h1-2,4-7,10-18,29,33,37-39,41H,3,8-9,19-28,30-31H2,(H,49,55)/b18-17+/t37-,38+,39-,41+/m1/s1
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| InChIKey |
LNIGEZFVMPRKQR-KEZHEGSASA-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