General Information of the Compound
| Compound ID |
CP0434811
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| Compound Name |
[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-[2-oxo-4-[[4-(trifluoromethyl)phenyl]methoxyamino]pyrimidin-1-yl]oxolan-2-yl]methoxy]phosphoryl]methylphosphonic acid
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| Structure |
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| Formula |
C18H22F3N3O10P2
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| Molecular Weight |
559.327
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| Canonical SMILES |
O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)CP(O)(O)=O)n1cc\c(=N/OCc2ccc(cc2)C(F)(F)F)[nH]c1=O
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| InChI |
InChI=1S/C18H22F3N3O10P2/c19-18(20,21)12-3-1-11(2-4-12)8-32-23-15-5-6-24(17(26)22-15)16-7-13(25)14(34-16)9-33-36(30,31)10-35(27,28)29/h1-6,13-14,16,25H,7-10H2,(H,30,31)(H,22,23,26)(H2,27,28,29)/t13-,14+,16+/m0/s1
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| InChIKey |
WHOLNPIFCSITAA-SQWLQELKSA-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
Protein ID: PT03381, 5'-nucleotidase
Protein ID: PT04712, 5'-nucleotidase