General Information of the Compound
| Compound ID |
CP0286276
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| Compound Name |
[[(2S)-5-(2,4-difluorophenyl)-1-oxo-1-(2-pyridin-2-ylethylamino)pent-4-yn-2-yl]amino]methylphosphonic acid
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| Structure |
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| Formula |
C19H20F2N3O4P
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| Molecular Weight |
423.356
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| Canonical SMILES |
OP(O)(=O)CN[C@@H](CC#Cc1ccc(F)cc1F)C(=O)NCCc1ccccn1
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| InChI |
InChI=1S/C19H20F2N3O4P/c20-15-8-7-14(17(21)12-15)4-3-6-18(24-13-29(26,27)28)19(25)23-11-9-16-5-1-2-10-22-16/h1-2,5,7-8,10,12,18,24H,6,9,11,13H2,(H,23,25)(H2,26,27,28)/t18-/m0/s1
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| InChIKey |
PUAOSZVSSGLNOX-SFHVURJKSA-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