General Information of the Compound
| Compound ID |
CP0336734
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| Compound Name |
(S)-5-(2-Fluoro-phenyl)-2-[(S)-5-(2-fluoro-phenyl)-2-(phosphonomethyl-amino)-pent-4-ynoylamino]-pent-4-ynoic acid
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| Structure |
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| Formula |
C23H21F2N2O6P
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| Molecular Weight |
490.399
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| Canonical SMILES |
OC(=O)[C@H](CC#Cc1ccccc1F)NC(=O)[C@H](CC#Cc1ccccc1F)NCP(O)(O)=O
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| InChI |
InChI=1S/C23H21F2N2O6P/c24-18-11-3-1-7-16(18)9-5-13-20(26-15-34(31,32)33)22(28)27-21(23(29)30)14-6-10-17-8-2-4-12-19(17)25/h1-4,7-8,11-12,20-21,26H,13-15H2,(H,27,28)(H,29,30)(H2,31,32,33)/t20-,21-/m0/s1
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| InChIKey |
LEUUZEFIWDNUGB-SFTDATJTSA-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