General Information of the Compound
| Compound ID |
CP0358558
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| Compound Name |
(S)-4-Methyl-2-[(S)-5-phenyl-2-(phosphonomethyl-amino)-pent-4-ynoylamino]-pentanoic acid
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| Structure |
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| Formula |
C18H25N2O6P
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| Molecular Weight |
396.38
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](CC#Cc1ccccc1)NCP(O)(O)=O)C(O)=O
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| InChI |
InChI=1S/C18H25N2O6P/c1-13(2)11-16(18(22)23)20-17(21)15(19-12-27(24,25)26)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,13,15-16,19H,10-12H2,1-2H3,(H,20,21)(H,22,23)(H2,24,25,26)/t15-,16-/m0/s1
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| InChIKey |
BIWWMKYCSUXSIM-HOTGVXAUSA-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