General Information of the Compound
| Compound ID |
CP0440395
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| Compound Name |
[[(2R,3S,4R,5R)-5-(6-amino-2-prop-2-enylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
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| Structure |
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| Formula |
C14H21N5O9P2S
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| Molecular Weight |
497.363
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| Canonical SMILES |
Nc1nc(SCC=C)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O
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| InChI |
InChI=1S/C14H21N5O9P2S/c1-2-3-31-14-17-11(15)8-12(18-14)19(5-16-8)13-10(21)9(20)7(28-13)4-27-30(25,26)6-29(22,23)24/h2,5,7,9-10,13,20-21H,1,3-4,6H2,(H,25,26)(H2,15,17,18)(H2,22,23,24)/t7-,9-,10-,13-/m1/s1
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| InChIKey |
SAWBMJODLSSAGJ-QYVSTXNMSA-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