General Information of the Compound
| Compound ID |
CP0395662
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| Compound Name |
tert-butyl (2S)-1-[3-[[[(2S)-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanoyl]amino]methyl]-6-(trifluoromethyl)pyridin-2-yl]pyrrolidine-2-carboxylate
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| Structure |
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| Formula |
C26H32F4N4O5S
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| Molecular Weight |
588.624
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| Canonical SMILES |
C[C@H](C(=O)NCc1ccc(nc1N1CCC[C@H]1C(=O)OC(C)(C)C)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C26H32F4N4O5S/c1-15(16-8-10-19(18(27)13-16)33-40(5,37)38)23(35)31-14-17-9-11-21(26(28,29)30)32-22(17)34-12-6-7-20(34)24(36)39-25(2,3)4/h8-11,13,15,20,33H,6-7,12,14H2,1-5H3,(H,31,35)/t15-,20-/m0/s1
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| InChIKey |
ZEULETIAOMCOPN-YWZLYKJASA-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