General Information of the Compound
| Compound ID |
CP0457421
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| Compound Name |
4-{(S)-1-[2-Hydroxy-2-((R)-4-hydroxy-3-methanesulfonylamino-phenyl)-ethylamino]-1-phenylcarbamoyl-ethyl}-benzamide
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| Structure |
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| Formula |
C25H28N4O6S
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| Molecular Weight |
512.588
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| Canonical SMILES |
C[C@@](NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)(C(=O)Nc1ccccc1)c1ccc(cc1)C(N)=O
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| InChI |
InChI=1S/C25H28N4O6S/c1-25(18-11-8-16(9-12-18)23(26)32,24(33)28-19-6-4-3-5-7-19)27-15-22(31)17-10-13-21(30)20(14-17)29-36(2,34)35/h3-14,22,27,29-31H,15H2,1-2H3,(H2,26,32)(H,28,33)/t22-,25-/m0/s1
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| InChIKey |
QPOZXEKCNSHDCC-DHLKQENFSA-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