General Information of the Compound
| Compound ID |
CP0505983
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| Compound Name |
(R)-N-(5-chloro-2-hydroxybenzyl)-2-(3-(2-(2-hydroxy-2-(4-hydroxy-3-(methylsulfonamido)phenyl)ethylamino)-2-methylpropyl)phenyl)acetamide
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| Structure |
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| Formula |
C28H34ClN3O6S
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| Molecular Weight |
576.115
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| Canonical SMILES |
CC(C)(Cc1cccc(CC(=O)NCc2cc(Cl)ccc2O)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1
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| InChI |
InChI=1S/C28H34ClN3O6S/c1-28(2,31-17-26(35)20-7-9-25(34)23(14-20)32-39(3,37)38)15-19-6-4-5-18(11-19)12-27(36)30-16-21-13-22(29)8-10-24(21)33/h4-11,13-14,26,31-35H,12,15-17H2,1-3H3,(H,30,36)/t26-/m0/s1
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| InChIKey |
PIHHGNUFNUKUEX-SANMLTNESA-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