General Information of the Compound
| Compound ID |
CP0426881
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| Compound Name |
(2R,3R,4S,5S)-2-(6-amino-2-((S)-1-hydroxy-3-phenylpropan-2-ylamino)-9H-purin-9-yl)-5-(4-phenyl-1H-pyrazol-1-yl)tetrahydrofuran-3,4-diol
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| Structure |
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| Formula |
C28H30N8O3
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| Molecular Weight |
526.601
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| Canonical SMILES |
Nc1nc(N[C@H](CO)Cc2ccccc2)nc2n(cnc12)[C@@H]1C[C@@H]([C@@H](O)[C@H]1O)n1cc(cn1)-c1ccccc1
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| InChI |
InChI=1S/C28H30N8O3/c29-26-23-27(34-28(33-26)32-20(15-37)11-17-7-3-1-4-8-17)35(16-30-23)21-12-22(25(39)24(21)38)36-14-19(13-31-36)18-9-5-2-6-10-18/h1-10,13-14,16,20-22,24-25,37-39H,11-12,15H2,(H3,29,32,33,34)/t20-,21+,22-,24-,25+/m0/s1
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| InChIKey |
QXAAKEMZOUSQFO-LJDQNPOQSA-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