General Information of the Compound
| Compound ID |
CP0404074
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| Compound Name |
(R)-N-(4-hydroxy-2,6-dimethylbenzyl)-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 |
C30H39N3O6S
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| Molecular Weight |
569.724
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| Canonical SMILES |
Cc1cc(O)cc(C)c1CNC(=O)Cc1cccc(CC(C)(C)NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c1
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| InChI |
InChI=1S/C30H39N3O6S/c1-19-11-24(34)12-20(2)25(19)17-31-29(37)14-21-7-6-8-22(13-21)16-30(3,4)32-18-28(36)23-9-10-27(35)26(15-23)33-40(5,38)39/h6-13,15,28,32-36H,14,16-18H2,1-5H3,(H,31,37)/t28-/m0/s1
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| InChIKey |
LOUJUHXSEIKQEB-NDEPHWFRSA-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