General Information of the Compound
| Compound ID |
CP0492228
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| Compound Name |
(R)-(S)-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 |
C18H23N3O6S
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| Molecular Weight |
409.464
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| Canonical SMILES |
COc1ccc(cc1)[C@H](NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(N)=O
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| InChI |
InChI=1S/C18H23N3O6S/c1-27-13-6-3-11(4-7-13)17(18(19)24)20-10-16(23)12-5-8-15(22)14(9-12)21-28(2,25)26/h3-9,16-17,20-23H,10H2,1-2H3,(H2,19,24)/t16-,17-/m0/s1
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| InChIKey |
HNCZDIMPROAWAO-IRXDYDNUSA-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