General Information of the Compound
| Compound ID |
CP0279593
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| Compound Name |
(S)-2-[2-Hydroxy-2-((R)-4-hydroxy-3-methanesulfonylamino-phenyl)-ethylamino]-2-(4-methoxy-phenyl)-N-(3-methoxy-phenyl)-propionamide
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| Structure |
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| Formula |
C26H31N3O7S
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| Molecular Weight |
529.615
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| Canonical SMILES |
COc1ccc(cc1)[C@](C)(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1cccc(OC)c1
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| InChI |
InChI=1S/C26H31N3O7S/c1-26(18-9-11-20(35-2)12-10-18,25(32)28-19-6-5-7-21(15-19)36-3)27-16-24(31)17-8-13-23(30)22(14-17)29-37(4,33)34/h5-15,24,27,29-31H,16H2,1-4H3,(H,28,32)/t24-,26-/m0/s1
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| InChIKey |
XIPFERRFRIPHGR-AHWVRZQESA-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