General Information of the Compound
| Compound ID |
CP0167269
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| Compound Name |
(S)-2-[(S)-5-(2-Fluoro-phenyl)-2-(phosphonomethyl-amino)-pent-4-ynoylamino]-3-phenyl-propionic acid
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| Structure |
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| Formula |
C21H22FN2O6P
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| Molecular Weight |
448.387
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| Canonical SMILES |
OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC#Cc1ccccc1F)NCP(O)(O)=O
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| InChI |
InChI=1S/C21H22FN2O6P/c22-17-11-5-4-9-16(17)10-6-12-18(23-14-31(28,29)30)20(25)24-19(21(26)27)13-15-7-2-1-3-8-15/h1-5,7-9,11,18-19,23H,12-14H2,(H,24,25)(H,26,27)(H2,28,29,30)/t18-,19-/m0/s1
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| InChIKey |
FHUNSTCXYNMIRB-OALUTQOASA-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