General Information of the Compound
| Compound ID |
CP0111515
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| Compound Name |
(S)-2-[2-Hydroxy-2-((R)-4-hydroxy-3-methanesulfonylamino-phenyl)-ethylamino]-N-(4-hydroxy-phenyl)-2-(4-methoxy-phenyl)-propionamide
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| Structure |
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| Formula |
C25H29N3O7S
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| Molecular Weight |
515.588
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| Canonical SMILES |
COc1ccc(cc1)[C@](C)(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1ccc(O)cc1
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| InChI |
InChI=1S/C25H29N3O7S/c1-25(17-5-11-20(35-2)12-6-17,24(32)27-18-7-9-19(29)10-8-18)26-15-23(31)16-4-13-22(30)21(14-16)28-36(3,33)34/h4-14,23,26,28-31H,15H2,1-3H3,(H,27,32)/t23-,25-/m0/s1
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| InChIKey |
LYIHONGEYSWGDC-ZCYQVOJMSA-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