General Information of the Compound
| Compound ID |
CP0372622
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| Compound Name |
2-(3-((R)-2-((R)-2-hydroxy-2-(4-hydroxy-3-(methylsulfonamido)phenyl)ethylamino)propyl)phenyl)-N-(2-methoxybenzyl)acetamide
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| Structure |
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| Formula |
C28H35N3O6S
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| Molecular Weight |
541.67
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| Canonical SMILES |
COc1ccccc1CNC(=O)Cc1cccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c1
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| InChI |
InChI=1S/C28H35N3O6S/c1-19(29-18-26(33)22-11-12-25(32)24(16-22)31-38(3,35)36)13-20-7-6-8-21(14-20)15-28(34)30-17-23-9-4-5-10-27(23)37-2/h4-12,14,16,19,26,29,31-33H,13,15,17-18H2,1-3H3,(H,30,34)/t19-,26+/m1/s1
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| InChIKey |
ABUCIAUEIGSSGO-BCHFMIIMSA-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