General Information of the Compound
| Compound ID |
CP0343459
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| Compound Name |
(S)-2-[2-Hydroxy-2-((R)-4-hydroxy-3-methanesulfonylamino-phenyl)-ethylamino]-2-(4-methoxy-phenyl)-N-(3,4,5-trimethoxy-phenyl)-propionamide
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| Structure |
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| Formula |
C28H35N3O9S
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| Molecular Weight |
589.667
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| Canonical SMILES |
COc1ccc(cc1)[C@](C)(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1cc(OC)c(OC)c(OC)c1
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| InChI |
InChI=1S/C28H35N3O9S/c1-28(18-8-10-20(37-2)11-9-18,27(34)30-19-14-24(38-3)26(40-5)25(15-19)39-4)29-16-23(33)17-7-12-22(32)21(13-17)31-41(6,35)36/h7-15,23,29,31-33H,16H2,1-6H3,(H,30,34)/t23-,28-/m0/s1
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| InChIKey |
QXJJXBJTLXLKJR-FIPFOOKPSA-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