General Information of the Compound
| Compound ID |
CP0416324
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| Compound Name |
N-[(2-ethoxyphenyl)methyl]-2-[3-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]propyl]phenyl]acetamide
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| Structure |
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| Formula |
C29H37N3O6S
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| Molecular Weight |
555.697
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| Canonical SMILES |
CCOc1ccccc1CNC(=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/C29H37N3O6S/c1-4-38-28-11-6-5-10-24(28)18-31-29(35)16-22-9-7-8-21(15-22)14-20(2)30-19-27(34)23-12-13-26(33)25(17-23)32-39(3,36)37/h5-13,15,17,20,27,30,32-34H,4,14,16,18-19H2,1-3H3,(H,31,35)/t20-,27+/m1/s1
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| InChIKey |
XGNQEJUXRNBYCQ-HRFSGMKKSA-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