General Information of the Compound
| Compound ID |
CP0208567
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| Compound Name |
[[(2S)-5-(2-fluorophenyl)-1-oxo-1-(2-phenylethylamino)pent-4-yn-2-yl]amino]methylphosphonic acid
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| Structure |
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| Formula |
C20H22FN2O4P
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| Molecular Weight |
404.378
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| Canonical SMILES |
OP(O)(=O)CN[C@@H](CC#Cc1ccccc1F)C(=O)NCCc1ccccc1
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| InChI |
InChI=1S/C20H22FN2O4P/c21-18-11-5-4-9-17(18)10-6-12-19(23-15-28(25,26)27)20(24)22-14-13-16-7-2-1-3-8-16/h1-5,7-9,11,19,23H,12-15H2,(H,22,24)(H2,25,26,27)/t19-/m0/s1
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| InChIKey |
QERBKNIPLFMBDE-IBGZPJMESA-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