General Information of the Compound
| Compound ID |
CP0349167
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| Compound Name |
(S)-2-[(S)-5-(2-Fluoro-phenyl)-2-(phosphonomethyl-amino)-pent-4-ynoylamino]-4-methylsulfanyl-butyric acid
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| Structure |
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| Formula |
C17H22FN2O6PS
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| Molecular Weight |
432.41
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| Canonical SMILES |
CSCC[C@H](NC(=O)[C@H](CC#Cc1ccccc1F)NCP(O)(O)=O)C(O)=O
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| InChI |
InChI=1S/C17H22FN2O6PS/c1-28-10-9-15(17(22)23)20-16(21)14(19-11-27(24,25)26)8-4-6-12-5-2-3-7-13(12)18/h2-3,5,7,14-15,19H,8-11H2,1H3,(H,20,21)(H,22,23)(H2,24,25,26)/t14-,15-/m0/s1
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| InChIKey |
LITPKWHXBVRJFG-GJZGRUSLSA-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