General Information of the Compound
| Compound ID |
CP0497919
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| Compound Name |
(2S,3S,4R)-3,4-dihydroxy-N-methyl-5-[6-[[3-(trifluoromethyl)phenyl]methylamino]purin-9-yl]oxolane-2-carboxamide
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| Structure |
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| Formula |
C19H19F3N6O4
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| Molecular Weight |
452.393
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| Canonical SMILES |
CNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(c3)C(F)(F)F)ncnc12
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| InChI |
InChI=1S/C19H19F3N6O4/c1-23-17(31)14-12(29)13(30)18(32-14)28-8-27-11-15(25-7-26-16(11)28)24-6-9-3-2-4-10(5-9)19(20,21)22/h2-5,7-8,12-14,18,29-30H,6H2,1H3,(H,23,31)(H,24,25,26)/t12-,13+,14-,18?/m0/s1
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| InChIKey |
HZKYELRMGIQCAE-CDJKEZFESA-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