General Information of the Compound
| Compound ID |
CP0354146
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| Compound Name |
N-[[(2R,3S,4R,5R)-5-[6-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl]acetamide
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| Structure |
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| Formula |
C19H26N6O4
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| Molecular Weight |
402.455
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| Canonical SMILES |
CC(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3C[C@H]4CC[C@H]3C4)ncnc12
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| InChI |
InChI=1S/C19H26N6O4/c1-9(26)20-6-13-15(27)16(28)19(29-13)25-8-23-14-17(21-7-22-18(14)25)24-12-5-10-2-3-11(12)4-10/h7-8,10-13,15-16,19,27-28H,2-6H2,1H3,(H,20,26)(H,21,22,24)/t10-,11-,12-,13+,15+,16+,19+/m0/s1
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| InChIKey |
HZBKHRPHVFUPEY-OAXCLTTPSA-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