General Information of the Compound
| Compound ID |
CP0504445
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| Compound Name |
(R)-2-(3-(2-(2-hydroxy-2-(4-hydroxy-3-(methylsulfonamido)phenyl)ethylamino)-2-methylpropyl)phenyl)-N-((4'-hydroxybiphenyl-4-yl)methyl)acetamide
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| Structure |
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| Formula |
C34H39N3O6S
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| Molecular Weight |
617.768
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| Canonical SMILES |
CC(C)(Cc1cccc(CC(=O)NCc2ccc(cc2)-c2ccc(O)cc2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1
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| InChI |
InChI=1S/C34H39N3O6S/c1-34(2,36-22-32(40)28-13-16-31(39)30(19-28)37-44(3,42)43)20-25-6-4-5-24(17-25)18-33(41)35-21-23-7-9-26(10-8-23)27-11-14-29(38)15-12-27/h4-17,19,32,36-40H,18,20-22H2,1-3H3,(H,35,41)/t32-/m0/s1
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| InChIKey |
YJWDSNSUCGERRI-YTTGMZPUSA-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