General Information of the Compound
| Compound ID |
CP0552221
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| Compound Name |
[(2R,3S,4R,5R)-5-[2-chloro-6-[(1-methylpyrazol-4-yl)methylamino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethylphosphonic acid
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| Structure |
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| Formula |
C16H21ClN7O7P
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| Molecular Weight |
489.813
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| Canonical SMILES |
Cn1cc(CNc2nc(Cl)nc3n(cnc23)[C@@H]2O[C@H](COCP(O)(O)=O)[C@@H](O)[C@H]2O)cn1
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| InChI |
InChI=1S/C16H21ClN7O7P/c1-23-4-8(3-20-23)2-18-13-10-14(22-16(17)21-13)24(6-19-10)15-12(26)11(25)9(31-15)5-30-7-32(27,28)29/h3-4,6,9,11-12,15,25-26H,2,5,7H2,1H3,(H,18,21,22)(H2,27,28,29)/t9-,11-,12-,15-/m1/s1
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| InChIKey |
QFNKMQZMYFPSSK-SDBHATRESA-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