General Information of the Compound
| Compound ID |
CP0567553
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| Compound Name |
N-[6-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]hexyl]bicyclo[2.2.2]octa-2,5-diene-2-carboxamide
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| Formula |
C25H34N6O5
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| Molecular Weight |
498.584
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| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCCCNC(=O)C3=CC4CCC3C=C4)ncnc12
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| InChI |
InChI=1S/C25H34N6O5/c32-12-18-20(33)21(34)25(36-18)31-14-30-19-22(28-13-29-23(19)31)26-9-3-1-2-4-10-27-24(35)17-11-15-5-7-16(17)8-6-15/h5,7,11,13-16,18,20-21,25,32-34H,1-4,6,8-10,12H2,(H,27,35)(H,26,28,29)/t15?,16?,18-,20-,21-,25-/m1/s1
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| InChIKey |
GSTBZJHWTVBBFU-SOVKVXODSA-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