General Information of the Compound
| Compound ID |
CP0504446
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| Compound Name |
(R)-N-(3,4-dichlorobenzyl)-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 |
C28H33Cl2N3O5S
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| Molecular Weight |
594.561
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| Canonical SMILES |
CC(C)(Cc1cccc(CC(=O)NCc2ccc(Cl)c(Cl)c2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1
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| InChI |
InChI=1S/C28H33Cl2N3O5S/c1-28(2,32-17-26(35)21-8-10-25(34)24(14-21)33-39(3,37)38)15-19-6-4-5-18(11-19)13-27(36)31-16-20-7-9-22(29)23(30)12-20/h4-12,14,26,32-35H,13,15-17H2,1-3H3,(H,31,36)/t26-/m0/s1
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| InChIKey |
ZZKXSAXWQIMXAR-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