General Information of the Compound
| Compound ID |
CP0076042
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| Compound Name |
(2R,3R,4S,5R)-2-[6-Amino-2-(1-benzyl-1H-pyrazol-4-yl)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol
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| Structure |
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| Formula |
C20H21N7O4
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| Molecular Weight |
423.433
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| Canonical SMILES |
Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(Cc2ccccc2)c1
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| InChI |
InChI=1S/C20H21N7O4/c21-17-14-19(27(10-22-14)20-16(30)15(29)13(9-28)31-20)25-18(24-17)12-6-23-26(8-12)7-11-4-2-1-3-5-11/h1-6,8,10,13,15-16,20,28-30H,7,9H2,(H2,21,24,25)/t13-,15-,16-,20-/m1/s1
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| InChIKey |
AMAIHVYPJNVOIU-KHTYJDQRSA-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