General Information of the Compound
| Compound ID |
CP0781526
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| Compound Name |
1-[(2R,4R,5S)-5-(hydroxymethyl)-4-[4-[(2-oxochromen-6-yl)oxymethyl]triazol-1-yl]tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
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| Structure |
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| Formula |
C22H21N5O7
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| Molecular Weight |
467.438
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| Canonical SMILES |
Cc1cn([C@H]2C[C@@H](n3cc(COc4ccc5oc(=O)ccc5c4)nn3)[C@@H](CO)O2)c(=O)[nH]c1=O
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| InChI |
InChI=1S/C22H21N5O7/c1-12-8-26(22(31)23-21(12)30)19-7-16(18(10-28)33-19)27-9-14(24-25-27)11-32-15-3-4-17-13(6-15)2-5-20(29)34-17/h2-6,8-9,16,18-19,28H,7,10-11H2,1H3,(H,23,30,31)/t16-,18-,19-/m1/s1
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| InChIKey |
CZGFBOOZLDNOSG-BHIYHBOVSA-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: PT01466, Telomerase reverse transcriptase
Cell-based Assay