General Information of the Compound
| Compound ID |
CP0562119
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| Compound Name |
[[(2R,3S,4R,5R)-5-[5-(1-chloroethenyl)-3-methyl-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
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| Structure |
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| Formula |
C13H19ClN2O11P2
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| Molecular Weight |
476.699
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| Canonical SMILES |
Cn1c(=O)c(cn([C@@H]2O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]2O)c1=O)C(Cl)=C
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| InChI |
InChI=1S/C13H19ClN2O11P2/c1-6(14)7-3-16(13(20)15(2)11(7)19)12-10(18)9(17)8(27-12)4-26-29(24,25)5-28(21,22)23/h3,8-10,12,17-18H,1,4-5H2,2H3,(H,24,25)(H2,21,22,23)/t8-,9-,10-,12-/m1/s1
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| InChIKey |
RBRDFALLLVVFKH-DNRKLUKYSA-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