General Information of the Compound
| Compound ID |
CP0426490
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| Compound Name |
[[(2R,3S,4R,5R)-5-[5-chloro-7-[(2-chlorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
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| Structure |
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| Formula |
C17H20Cl2N6O9P2
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| Molecular Weight |
585.234
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| Canonical SMILES |
O[C@@H]1[C@@H](COP(O)(=O)CP(O)(O)=O)O[C@H]([C@@H]1O)n1nnc2c(NCc3ccccc3Cl)nc(Cl)nc12
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| InChI |
InChI=1S/C17H20Cl2N6O9P2/c18-9-4-2-1-3-8(9)5-20-14-11-15(22-17(19)21-14)25(24-23-11)16-13(27)12(26)10(34-16)6-33-36(31,32)7-35(28,29)30/h1-4,10,12-13,16,26-27H,5-7H2,(H,31,32)(H,20,21,22)(H2,28,29,30)/t10-,12-,13-,16-/m1/s1
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| InChIKey |
HNTPSDTXIIVQGO-XNIJJKJLSA-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