General Information of the Compound
| Compound ID |
CP0037872
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| Compound Name |
(S)-2-[(S)-5-(2,4-Difluoro-phenyl)-2-(phosphonomethyl-amino)-pent-4-ynoylamino]-4-methyl-pentanoic acid
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| Structure |
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| Formula |
C18H23F2N2O6P
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| Molecular Weight |
432.36
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](CC#Cc1ccc(F)cc1F)NCP(O)(O)=O)C(O)=O
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| InChI |
InChI=1S/C18H23F2N2O6P/c1-11(2)8-16(18(24)25)22-17(23)15(21-10-29(26,27)28)5-3-4-12-6-7-13(19)9-14(12)20/h6-7,9,11,15-16,21H,5,8,10H2,1-2H3,(H,22,23)(H,24,25)(H2,26,27,28)/t15-,16-/m0/s1
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| InChIKey |
UJDQJONXBJDHMR-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