General Information of the Compound
| Compound ID |
CP0037785
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| Compound Name |
(2R,3R,4S,5R)-2-[6-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]amino]purin-9-yl]-5-(propylaminomethyl)oxolane-3,4-diol
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| Structure |
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| Formula |
C20H30N6O3
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| Molecular Weight |
402.499
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| Canonical SMILES |
CCCNC[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/C20H30N6O3/c1-2-5-21-8-14-16(27)17(28)20(29-14)26-10-24-15-18(22-9-23-19(15)26)25-13-7-11-3-4-12(13)6-11/h9-14,16-17,20-21,27-28H,2-8H2,1H3,(H,22,23,25)/t11-,12-,13-,14+,16+,17+,20+/m0/s1
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| InChIKey |
JHXHCVNDNQJLBH-AKFWKBCCSA-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