General Information of the Compound
| Compound ID |
CP0560800
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| Compound Name |
[[(2R,3R,4S,5R)-5-[6-(cyclopentylamino)-2-[hydroxy(phenyl)methyl]purin-9-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
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| Structure |
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| Formula |
C23H30FN5O9P2
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| Molecular Weight |
601.465
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| Canonical SMILES |
OC(c1ccccc1)c1nc(NC2CCCC2)c2ncn([C@@H]3O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@@H]3F)c2n1
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| InChI |
InChI=1S/C23H30FN5O9P2/c24-16-19(31)15(10-37-40(35,36)12-39(32,33)34)38-23(16)29-11-25-17-20(26-14-8-4-5-9-14)27-21(28-22(17)29)18(30)13-6-2-1-3-7-13/h1-3,6-7,11,14-16,18-19,23,30-31H,4-5,8-10,12H2,(H,35,36)(H,26,27,28)(H2,32,33,34)/t15-,16+,18?,19-,23-/m1/s1
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| InChIKey |
HHTWCKBIYUDERF-MAIBGOPTSA-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