General Information of the Compound
| Compound ID |
CP0487981
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| Compound Name |
[[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
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| Structure |
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| Formula |
C12H18N4O9P2
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| Molecular Weight |
424.243
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| Canonical SMILES |
Nc1ncnc2n(ccc12)[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/C12H18N4O9P2/c13-10-6-1-2-16(11(6)15-4-14-10)12-9(18)8(17)7(25-12)3-24-27(22,23)5-26(19,20)21/h1-2,4,7-9,12,17-18H,3,5H2,(H,22,23)(H2,13,14,15)(H2,19,20,21)/t7-,8-,9-,12-/m1/s1
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| InChIKey |
JUUIOPQLZSNPDZ-MFYTUXHUSA-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