General Information of the Compound
| Compound ID |
CP0420092
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| Compound Name |
(2R,3R,4S,5R)-2-[2-[[3-(4-hydroxybutoxy)-4-phenylphenyl]methylamino]benzimidazol-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol
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| Structure |
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| Formula |
C29H33N3O6
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| Molecular Weight |
519.598
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| Canonical SMILES |
OCCCCOc1cc(CNc2nc3ccccc3n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1-c1ccccc1
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| InChI |
InChI=1S/C29H33N3O6/c33-14-6-7-15-37-24-16-19(12-13-21(24)20-8-2-1-3-9-20)17-30-29-31-22-10-4-5-11-23(22)32(29)28-27(36)26(35)25(18-34)38-28/h1-5,8-13,16,25-28,33-36H,6-7,14-15,17-18H2,(H,30,31)/t25-,26-,27-,28-/m1/s1
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| InChIKey |
CDQGWLIHAIYKAX-BIYDSLDMSA-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
Protein ID: PT05357, Sodium/nucleoside cotransporter 2
Protein ID: PT06620, Sodium/nucleoside cotransporter 2