General Information of the Compound
| Compound ID |
CP0430897
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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-(1H-indazol-1-yl)tetrahydrofuran-3,4-diol
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| Structure |
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| Formula |
C26H28N8O3
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| Molecular Weight |
500.563
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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)n1ncc2ccccc12
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| InChI |
InChI=1S/C26H28N8O3/c27-24-21-25(32-26(31-24)30-17(13-35)10-15-6-2-1-3-7-15)33(14-28-21)19-11-20(23(37)22(19)36)34-18-9-5-4-8-16(18)12-29-34/h1-9,12,14,17,19-20,22-23,35-37H,10-11,13H2,(H3,27,30,31,32)/t17-,19+,20-,22-,23+/m0/s1
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| InChIKey |
UWBKGMMHEWTZJY-YFVPBJFGSA-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