General Information of the Compound
| Compound ID |
CP0495506
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| Compound Name |
2-[(2R,3S,4R,5R)-5-[5-(1-benzothiophen-2-yl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]ethylphosphonic acid
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| Structure |
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| Formula |
C18H19N2O8PS
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| Molecular Weight |
454.397
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| Canonical SMILES |
O[C@@H]1[C@@H](CCP(O)(O)=O)O[C@H]([C@@H]1O)n1cc(-c2cc3ccccc3s2)c(=O)[nH]c1=O
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| InChI |
InChI=1S/C18H19N2O8PS/c21-14-11(5-6-29(25,26)27)28-17(15(14)22)20-8-10(16(23)19-18(20)24)13-7-9-3-1-2-4-12(9)30-13/h1-4,7-8,11,14-15,17,21-22H,5-6H2,(H,19,23,24)(H2,25,26,27)/t11-,14-,15-,17-/m1/s1
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| InChIKey |
BMSFTRGDDXQGKF-BNGXUDDSSA-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