General Information of the Compound
| Compound ID |
CP0402240
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| Compound Name |
3-[(S)-2-[2-Hydroxy-2-((R)-4-hydroxy-3-methanesulfonylamino-phenyl)-ethylamino]-2-(4-methoxy-phenyl)-propionylamino]-benzoic acid
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| Structure |
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| Formula |
C26H29N3O8S
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| Molecular Weight |
543.598
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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(c1)C(O)=O
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| InChI |
InChI=1S/C26H29N3O8S/c1-26(18-8-10-20(37-2)11-9-18,25(34)28-19-6-4-5-17(13-19)24(32)33)27-15-23(31)16-7-12-22(30)21(14-16)29-38(3,35)36/h4-14,23,27,29-31H,15H2,1-3H3,(H,28,34)(H,32,33)/t23-,26-/m0/s1
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| InChIKey |
BYFWUSSAVWEOTB-OZXSUGGESA-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