General Information of the Compound
| Compound ID |
CP0202130
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| Compound Name |
(2R,3R,4S,5R)-2-{6-Amino-2-[4-(4-methoxy-phenyl)-pyrazol-1-yl]-purin-9-yl}-5-hydroxymethyl-tetrahydro-furan-3,4-diol
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| Structure |
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| Formula |
C20H21N7O5
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| Molecular Weight |
439.432
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| Canonical SMILES |
COc1ccc(cc1)-c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
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| InChI |
InChI=1S/C20H21N7O5/c1-31-12-4-2-10(3-5-12)11-6-23-27(7-11)20-24-17(21)14-18(25-20)26(9-22-14)19-16(30)15(29)13(8-28)32-19/h2-7,9,13,15-16,19,28-30H,8H2,1H3,(H2,21,24,25)/t13-,15-,16-,19-/m1/s1
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| InChIKey |
BJLRXPIBFWXVOO-NVQRDWNXSA-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