General Information of the Compound
| Compound ID |
CP0946586
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| Compound Name |
(S)-N-(3-(trifluoromethyl)benzyl)-4-oxo-2-((3S,4R)-2-oxo-3-((S)-2-oxo-4-phenyloxazolidin-3-yl)-4-((E)-styryl)azetidin-1-yl)-4-(4-(2-(pyrrolidin-1-yl)ethyl)piperazin-1-yl)butanamide
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| Structure |
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| Formula |
C42H47F3N6O5
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| Molecular Weight |
772.869
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| Canonical SMILES |
O=C(NCc1cccc(C(F)(F)F)c1)[C@H](CC(=O)N1CCN(CCN2CCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1
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| InChI |
InChI=1S/C42H47F3N6O5/c43-42(44,45)33-15-9-12-31(26-33)28-46-39(53)35(27-37(52)49-24-22-48(23-25-49)21-20-47-18-7-8-19-47)50-34(17-16-30-10-3-1-4-11-30)38(40(50)54)51-36(29-56-41(51)55)32-13-5-2-6-14-32/h1-6,9-17,26,34-36,38H,7-8,18-25,27-29H2,(H,46,53)/b17-16+/t34-,35+,36-,38+/m1/s1
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| InChIKey |
ILLZHAPYSWIFSA-WXPFFXEPSA-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