General Information of the Compound
| Compound ID |
CP0286476
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| Compound Name |
[[(2S)-5-(2,4-difluorophenyl)-1-(2-naphthalen-1-ylethylamino)-1-oxopent-4-yn-2-yl]amino]methylphosphonic acid
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| Structure |
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| Formula |
C24H23F2N2O4P
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| Molecular Weight |
472.428
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| Canonical SMILES |
OP(O)(=O)CN[C@@H](CC#Cc1ccc(F)cc1F)C(=O)NCCc1cccc2ccccc12
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| InChI |
InChI=1S/C24H23F2N2O4P/c25-20-12-11-19(22(26)15-20)8-4-10-23(28-16-33(30,31)32)24(29)27-14-13-18-7-3-6-17-5-1-2-9-21(17)18/h1-3,5-7,9,11-12,15,23,28H,10,13-14,16H2,(H,27,29)(H2,30,31,32)/t23-/m0/s1
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| InChIKey |
NDQILPDHDFUVFK-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