General Information of the Compound
| Compound ID |
CP0435423
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| Compound Name |
1-[9-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-6-methylamino-9H-purin-2-yl]-1H-pyrazole-4-carboxylic acid ethylamide
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| Structure |
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| Formula |
C17H22N8O5
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| Molecular Weight |
418.414
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| Canonical SMILES |
CCNC(=O)c1cnn(c1)-c1nc(NC)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
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| InChI |
InChI=1S/C17H22N8O5/c1-3-19-15(29)8-4-21-25(5-8)17-22-13(18-2)10-14(23-17)24(7-20-10)16-12(28)11(27)9(6-26)30-16/h4-5,7,9,11-12,16,26-28H,3,6H2,1-2H3,(H,19,29)(H,18,22,23)/t9-,11-,12-,16?/m1/s1
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| InChIKey |
RCTSETQTWYCFHZ-JZVWYZPUSA-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