General Information of the Compound
| Compound ID |
CP0107342
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| Compound Name |
[[(2S)-5-(2,4-difluorophenyl)-1-oxo-1-[2-(4-phenylphenyl)ethylamino]pent-4-yn-2-yl]amino]methylphosphonic acid
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| Structure |
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| Formula |
C26H25F2N2O4P
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| Molecular Weight |
498.466
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| Canonical SMILES |
OP(O)(=O)CN[C@@H](CC#Cc1ccc(F)cc1F)C(=O)NCCc1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C26H25F2N2O4P/c27-23-14-13-22(24(28)17-23)7-4-8-25(30-18-35(32,33)34)26(31)29-16-15-19-9-11-21(12-10-19)20-5-2-1-3-6-20/h1-3,5-6,9-14,17,25,30H,8,15-16,18H2,(H,29,31)(H2,32,33,34)/t25-/m0/s1
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| InChIKey |
JWOKQGCIQICHIX-VWLOTQADSA-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