General Information of the Compound
| Compound ID |
CP0917647
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| Compound Name |
1-[(2R,4R,5S)-4-[4-[(2,2-dioxo-1,2$l^6-benzoxathiin-6-yl)oxymethyl]triazol-1-yl]-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
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| Structure |
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| Formula |
C21H21N5O8S
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| Molecular Weight |
503.493
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| Canonical SMILES |
Cc1cn([C@H]2C[C@@H](n3cc(COc4ccc5c(c4)C=CS(=O)(=O)O5)nn3)[C@@H](CO)O2)c(=O)[nH]c1=O
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| InChI |
InChI=1S/C21H21N5O8S/c1-12-8-25(21(29)22-20(12)28)19-7-16(18(10-27)33-19)26-9-14(23-24-26)11-32-15-2-3-17-13(6-15)4-5-35(30,31)34-17/h2-6,8-9,16,18-19,27H,7,10-11H2,1H3,(H,22,28,29)/t16-,18-,19-/m1/s1
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| InChIKey |
CMDJJRDLUGCOEH-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