General Information of the Compound
| Compound ID |
CP0527748
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| Compound Name |
(2S,3S,4R,5R)-5-[6-(tert-butylcarbamoylamino)purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
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| Structure |
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| Formula |
C17H25N7O5
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| Molecular Weight |
407.431
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| Canonical SMILES |
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)NC(C)(C)C)ncnc12
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| InChI |
InChI=1S/C17H25N7O5/c1-5-18-14(27)11-9(25)10(26)15(29-11)24-7-21-8-12(19-6-20-13(8)24)22-16(28)23-17(2,3)4/h6-7,9-11,15,25-26H,5H2,1-4H3,(H,18,27)(H2,19,20,22,23,28)/t9-,10+,11-,15+/m0/s1
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| InChIKey |
MRRBCVYDFJHRNY-BQVMBELUSA-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