General Information of the Compound
| Compound ID |
CP0844863
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| Compound Name |
3-Phenacyluridine5'-Glucose-1'-triphosphate Triethylammonium salt
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| Structure |
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| Formula |
C29H46N3O21P3
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| Molecular Weight |
865.609
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| Canonical SMILES |
CCN(CC)CC.O=C(Cn1c(=O)ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c1=O)c1ccccc1
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| InChI |
InChI=1S/C23H31N2O21P3.C6H15N/c26-9-13-16(29)18(31)20(33)22(43-13)44-48(37,38)46-49(39,40)45-47(35,36)41-10-14-17(30)19(32)21(42-14)24-7-6-15(28)25(23(24)34)8-12(27)11-4-2-1-3-5-11;1-4-7(5-2)6-3/h1-7,13-14,16-22,26,29-33H,8-10H2,(H,35,36)(H,37,38)(H,39,40);4-6H2,1-3H3/t13-,14-,16-,17-,18+,19-,20-,21-,22-;/m1./s1
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| InChIKey |
XVNKGHUJBWTXGM-UWTPMCBFSA-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