General Information of the Compound
| Compound ID |
CP0430899
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| Compound Name |
1-((2S,3S,4R,5R)-5-(6-amino-2-((S)-1-hydroxy-3-phenylpropan-2-ylamino)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)pyridin-2(1H)-one
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| Structure |
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| Formula |
C24H27N7O4
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| Molecular Weight |
477.525
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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)n1ccccc1=O
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| InChI |
InChI=1S/C24H27N7O4/c25-22-19-23(29-24(28-22)27-15(12-32)10-14-6-2-1-3-7-14)31(13-26-19)17-11-16(20(34)21(17)35)30-9-5-4-8-18(30)33/h1-9,13,15-17,20-21,32,34-35H,10-12H2,(H3,25,27,28,29)/t15-,16-,17+,20+,21-/m0/s1
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| InChIKey |
LDUYRLUTKUIVAA-YVXJGENVSA-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