General Information of the Compound
| Compound ID |
CP0393025
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| Compound Name |
(S)-N-((R)-2-Hydroxy-5-{1-hydroxy-2-[(S)-1-(4-methoxy-phenyl)-2-oxo-2-piperidin-1-yl-ethylamino]-ethyl}-phenyl)-methanesulfonamide
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| Structure |
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| Formula |
C23H31N3O6S
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| Molecular Weight |
477.583
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| Canonical SMILES |
COc1ccc(cc1)[C@H](NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)N1CCCCC1
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| InChI |
InChI=1S/C23H31N3O6S/c1-32-18-9-6-16(7-10-18)22(23(29)26-12-4-3-5-13-26)24-15-21(28)17-8-11-20(27)19(14-17)25-33(2,30)31/h6-11,14,21-22,24-25,27-28H,3-5,12-13,15H2,1-2H3/t21-,22-/m0/s1
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| InChIKey |
XKHRGELQAUGNAB-VXKWHMMOSA-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