General Information of the Compound
| Compound ID |
CP0552519
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| Compound Name |
[[(2R,3R,4S,5R)-5-[6-(cyclopentylamino)-2-[hydroxy(oxan-4-yl)methyl]purin-9-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
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| Structure |
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| Formula |
C22H34FN5O10P2
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| Molecular Weight |
609.485
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| Canonical SMILES |
OC(C1CCOCC1)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/C22H34FN5O10P2/c23-15-18(30)14(9-37-40(34,35)11-39(31,32)33)38-22(15)28-10-24-16-19(25-13-3-1-2-4-13)26-20(27-21(16)28)17(29)12-5-7-36-8-6-12/h10,12-15,17-18,22,29-30H,1-9,11H2,(H,34,35)(H,25,26,27)(H2,31,32,33)/t14-,15+,17?,18-,22-/m1/s1
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| InChIKey |
IQWCEMPDDQKQPG-QEFRFWECSA-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