General Information of the Compound
| Compound ID |
CP0453627
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| Compound Name |
(2R,3R,4S,5R)-2-[2-chloro-6-[(1-hydroxy-3-phenylpropan-2-yl)amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
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| Structure |
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| Formula |
C19H22ClN5O5
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| Molecular Weight |
435.868
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| Canonical SMILES |
OCC(Cc1ccccc1)Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
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| InChI |
InChI=1S/C19H22ClN5O5/c20-19-23-16(22-11(7-26)6-10-4-2-1-3-5-10)13-17(24-19)25(9-21-13)18-15(29)14(28)12(8-27)30-18/h1-5,9,11-12,14-15,18,26-29H,6-8H2,(H,22,23,24)/t11?,12-,14-,15-,18-/m1/s1
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| InChIKey |
UPNRHMKJJKJRCL-JJPFLPBXSA-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