General Information of the Compound
| Compound ID |
CP0537614
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| Compound Name |
4-[[(1R,2R)-2-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]cyclopentyl]oxymethyl]benzonitrile
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| Structure |
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| Formula |
C23H26N6O5
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| Molecular Weight |
466.498
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| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3OCc3ccc(cc3)C#N)ncnc12
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| InChI |
InChI=1S/C23H26N6O5/c24-8-13-4-6-14(7-5-13)10-33-16-3-1-2-15(16)28-21-18-22(26-11-25-21)29(12-27-18)23-20(32)19(31)17(9-30)34-23/h4-7,11-12,15-17,19-20,23,30-32H,1-3,9-10H2,(H,25,26,28)/t15-,16-,17-,19-,20-,23-/m1/s1
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| InChIKey |
VEISKGISMSAOAX-PAXAQNQPSA-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