General Information of the Compound
| Compound ID |
CP0921464
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| Compound Name |
(S)-N-(4-fluoro-3-(trifluoromethyl)benzyl)-5-(4-cyclohexylpiperazin-1-yl)-5-oxo-2-((3S,4R)-2-oxo-3-((S)-2-oxo-4-phenyloxazolidin-3-yl)-4-((E)-styryl)azetidin-1-yl)pentanamide
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| Structure |
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| Formula |
C43H47F4N5O5
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| Molecular Weight |
789.871
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| Canonical SMILES |
O=C(NCc1ccc(F)c(C(F)(F)F)c1)[C@H](CCC(=O)N1CCN(C2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1
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| InChI |
InChI=1S/C43H47F4N5O5/c44-34-18-16-30(26-33(34)43(45,46)47)27-48-40(54)36(20-21-38(53)50-24-22-49(23-25-50)32-14-8-3-9-15-32)51-35(19-17-29-10-4-1-5-11-29)39(41(51)55)52-37(28-57-42(52)56)31-12-6-2-7-13-31/h1-2,4-7,10-13,16-19,26,32,35-37,39H,3,8-9,14-15,20-25,27-28H2,(H,48,54)/b19-17+/t35-,36+,37-,39+/m1/s1
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| InChIKey |
JTCVUEJAKWHYTK-IOLWAGDESA-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