General Information of the Compound
| Compound ID |
CP0454778
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| Compound Name |
4-{(R)-1-[(R)-2-Hydroxy-2-(4-hydroxy-3-methanesulfonylamino-phenyl)-ethylamino]-2-phenyl-ethyl}-benzoic acid methyl ester
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| Structure |
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| Formula |
C25H28N2O6S
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| Molecular Weight |
484.574
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| Canonical SMILES |
COC(=O)c1ccc(cc1)[C@@H](Cc1ccccc1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1
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| InChI |
InChI=1S/C25H28N2O6S/c1-33-25(30)19-10-8-18(9-11-19)21(14-17-6-4-3-5-7-17)26-16-24(29)20-12-13-23(28)22(15-20)27-34(2,31)32/h3-13,15,21,24,26-29H,14,16H2,1-2H3/t21-,24+/m1/s1
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| InChIKey |
LSHFXHJUWNRXDE-QPPBQGQZSA-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