General Information of the Compound
| Compound ID |
CP0454617
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| Compound Name |
4-{(R)-1-[(R)-2-Hydroxy-2-(4-hydroxy-3-methanesulfonylamino-phenyl)-ethylamino]-2-phenyl-ethyl}-benzoic acid
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| Structure |
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| Formula |
C24H26N2O6S
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| Molecular Weight |
470.547
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| Canonical SMILES |
CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CN[C@H](Cc1ccccc1)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C24H26N2O6S/c1-33(31,32)26-21-14-19(11-12-22(21)27)23(28)15-25-20(13-16-5-3-2-4-6-16)17-7-9-18(10-8-17)24(29)30/h2-12,14,20,23,25-28H,13,15H2,1H3,(H,29,30)/t20-,23+/m1/s1
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| InChIKey |
HBBDVXPPYOLOKQ-OFNKIYASSA-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