General Information of the Compound
| Compound ID |
CP0144775
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| Compound Name |
(4-{(R)-2-[(S)-2-Hydroxy-3-(4-hydroxy-3-methanesulfonylamino-phenoxy)-propylamino]-propyl}-phenoxymethyl)-phenyl-phosphinic acid
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| Structure |
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| Formula |
C26H33N2O8PS
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| Molecular Weight |
564.597
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| Canonical SMILES |
C[C@H](Cc1ccc(OCP(O)(=O)c2ccccc2)cc1)NC[C@H](O)COc1ccc(O)c(NS(C)(=O)=O)c1
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| InChI |
InChI=1S/C26H33N2O8PS/c1-19(27-16-21(29)17-35-23-12-13-26(30)25(15-23)28-38(2,33)34)14-20-8-10-22(11-9-20)36-18-37(31,32)24-6-4-3-5-7-24/h3-13,15,19,21,27-30H,14,16-18H2,1-2H3,(H,31,32)/t19-,21+/m1/s1
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| InChIKey |
OMJGVUMTYYCOBO-CTNGQTDRSA-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