General Information of the Compound
| Compound ID |
CP0505586
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| Compound Name |
(2R,3S,4R)-2-(hydroxymethyl)-5-[6-(7-oxabicyclo[2.2.1]hept-5-en-2-ylamino)purin-9-yl]oxolane-3,4-diol
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| Structure |
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| Formula |
C16H19N5O5
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| Molecular Weight |
361.358
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| Canonical SMILES |
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CC4OC3C=C4)ncnc12
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| InChI |
InChI=1S/C16H19N5O5/c22-4-10-12(23)13(24)16(26-10)21-6-19-11-14(17-5-18-15(11)21)20-8-3-7-1-2-9(8)25-7/h1-2,5-10,12-13,16,22-24H,3-4H2,(H,17,18,20)/t7?,8?,9?,10-,12-,13-,16?/m1/s1
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| InChIKey |
WHCLEEHMRJVVRQ-XPELVCMNSA-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