General Information of the Compound
| Compound ID |
CP0048197
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| Compound Name |
[[(2S)-5-(2-fluorophenyl)-1-(2-naphthalen-1-ylethylamino)-1-oxopent-4-yn-2-yl]amino]methylphosphonic acid
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| Structure |
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| Formula |
C24H24FN2O4P
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| Molecular Weight |
454.438
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| Canonical SMILES |
OP(O)(=O)CN[C@@H](CC#Cc1ccccc1F)C(=O)NCCc1cccc2ccccc12
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| InChI |
InChI=1S/C24H24FN2O4P/c25-22-13-4-2-8-20(22)11-6-14-23(27-17-32(29,30)31)24(28)26-16-15-19-10-5-9-18-7-1-3-12-21(18)19/h1-5,7-10,12-13,23,27H,14-17H2,(H,26,28)(H2,29,30,31)/t23-/m0/s1
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| InChIKey |
AHIFFVRJJVSTEC-QHCPKHFHSA-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