General Information of the Compound
| Compound ID |
CP0492801
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| Compound Name |
(S)-(S)-N-tert-Butyl-2-[2-hydroxy-2-((R)-4-hydroxy-3-methanesulfonylamino-phenyl)-ethylamino]-2-(4-methoxy-phenyl)-acetamide
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| Structure |
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| Formula |
C22H31N3O6S
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| Molecular Weight |
465.572
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| Canonical SMILES |
COc1ccc(cc1)[C@H](NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)NC(C)(C)C
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| InChI |
InChI=1S/C22H31N3O6S/c1-22(2,3)24-21(28)20(14-6-9-16(31-4)10-7-14)23-13-19(27)15-8-11-18(26)17(12-15)25-32(5,29)30/h6-12,19-20,23,25-27H,13H2,1-5H3,(H,24,28)/t19-,20-/m0/s1
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| InChIKey |
UYASRSHBXASYNZ-PMACEKPBSA-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