General Information of the Compound
| Compound ID |
CP0133531
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| Compound Name |
(S)-5-(2,4-Difluoro-phenyl)-2-(phosphonomethyl-amino)-pent-4-ynoic acid
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| Structure |
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| Formula |
C12H12F2NO5P
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| Molecular Weight |
319.2
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| Canonical SMILES |
OC(=O)[C@H](CC#Cc1ccc(F)cc1F)NCP(O)(O)=O
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| InChI |
InChI=1S/C12H12F2NO5P/c13-9-5-4-8(10(14)6-9)2-1-3-11(12(16)17)15-7-21(18,19)20/h4-6,11,15H,3,7H2,(H,16,17)(H2,18,19,20)/t11-/m0/s1
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| InChIKey |
QPWOGFCBUYWSSQ-NSHDSACASA-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