General Information of the Compound
| Compound ID |
CP0362349
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| Compound Name |
[[(2S)-5-(2-fluorophenyl)-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 |
C26H26FN2O4P
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| Molecular Weight |
480.476
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| Canonical SMILES |
OP(O)(=O)CN[C@@H](CC#Cc1ccccc1F)C(=O)NCCc1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C26H26FN2O4P/c27-24-11-5-4-9-23(24)10-6-12-25(29-19-34(31,32)33)26(30)28-18-17-20-13-15-22(16-14-20)21-7-2-1-3-8-21/h1-5,7-9,11,13-16,25,29H,12,17-19H2,(H,28,30)(H2,31,32,33)/t25-/m0/s1
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| InChIKey |
IGAOCAHKLPJURR-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