General Information of the Compound
| Compound ID |
CP0463560
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| Compound Name |
4-{(R)-1-[(R)-2-Hydroxy-2-(4-hydroxy-3-methanesulfonylamino-phenyl)-ethylamino]-2-phenyl-ethyl}-N,N-dimethyl-benzamide
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| Structure |
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| Formula |
C26H31N3O5S
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| Molecular Weight |
497.617
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| Canonical SMILES |
CN(C)C(=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/C26H31N3O5S/c1-29(2)26(32)20-11-9-19(10-12-20)22(15-18-7-5-4-6-8-18)27-17-25(31)21-13-14-24(30)23(16-21)28-35(3,33)34/h4-14,16,22,25,27-28,30-31H,15,17H2,1-3H3/t22-,25+/m1/s1
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| InChIKey |
FUIYCLZYHPHVHS-RDGATRHJSA-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