General Information of the Compound
| Compound ID |
CP0522229
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| Compound Name |
(2S,3S,4R,5R)-N-ethyl-3,4-dihydroxy-5-[6-[(4-methoxyphenyl)carbamoylamino]purin-9-yl]oxolane-2-carboxamide
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| Structure |
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| Formula |
C20H23N7O6
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| Molecular Weight |
457.447
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| Canonical SMILES |
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(OC)cc3)ncnc12
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| InChI |
InChI=1S/C20H23N7O6/c1-3-21-18(30)15-13(28)14(29)19(33-15)27-9-24-12-16(22-8-23-17(12)27)26-20(31)25-10-4-6-11(32-2)7-5-10/h4-9,13-15,19,28-29H,3H2,1-2H3,(H,21,30)(H2,22,23,25,26,31)/t13-,14+,15-,19+/m0/s1
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| InChIKey |
LJUVATVFZAQHPZ-QCUYGVNKSA-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