General Information of the Compound
| Compound ID |
CP0398080
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| Compound Name |
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl N-benzylcarbamate
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| Structure |
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| Formula |
C18H20N6O5
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| Molecular Weight |
400.395
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| Canonical SMILES |
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COC(=O)NCc2ccccc2)[C@@H](O)[C@H]1O
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| InChI |
InChI=1S/C18H20N6O5/c19-15-12-16(22-8-21-15)24(9-23-12)17-14(26)13(25)11(29-17)7-28-18(27)20-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,25-26H,6-7H2,(H,20,27)(H2,19,21,22)/t11-,13-,14-,17-/m1/s1
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| InChIKey |
PUCKAXLHGJZQSM-LSCFUAHRSA-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