General Information of the Compound
| Compound ID |
CP0514462
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| Compound Name |
(R)-N-(3,5-dichloro-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 |
C28H33Cl2N3O6S
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| Molecular Weight |
610.56
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| Canonical SMILES |
CC(C)(Cc1cccc(CC(=O)NCc2cc(Cl)cc(Cl)c2O)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1
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| InChI |
InChI=1S/C28H33Cl2N3O6S/c1-28(2,32-16-25(35)19-7-8-24(34)23(12-19)33-40(3,38)39)14-18-6-4-5-17(9-18)10-26(36)31-15-20-11-21(29)13-22(30)27(20)37/h4-9,11-13,25,32-35,37H,10,14-16H2,1-3H3,(H,31,36)/t25-/m0/s1
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| InChIKey |
UQXAYUDUCJABOF-VWLOTQADSA-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