General Information of the Compound
| Compound ID |
CP0570800
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| Compound Name |
(2R,3R,4S,5R)-2-[6-[[(1R,2R)-2-[(4-tert-butylphenyl)methoxy]cyclopentyl]amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
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| Structure |
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| Formula |
C26H35N5O5
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| Molecular Weight |
497.596
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| Canonical SMILES |
CC(C)(C)c1ccc(CO[C@@H]2CCC[C@H]2Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1
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| InChI |
InChI=1S/C26H35N5O5/c1-26(2,3)16-9-7-15(8-10-16)12-35-18-6-4-5-17(18)30-23-20-24(28-13-27-23)31(14-29-20)25-22(34)21(33)19(11-32)36-25/h7-10,13-14,17-19,21-22,25,32-34H,4-6,11-12H2,1-3H3,(H,27,28,30)/t17-,18-,19-,21-,22-,25-/m1/s1
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| InChIKey |
RRMKDTDKEQJZDZ-DNSZXJMNSA-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