General Information of the Compound
| Compound ID |
CP0964958
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| Compound Name |
tetrasodium [[(2R,3S,4R,5R)-5-[5-[bis(4-methoxyphenyl)methyl]-2-oxo-4-thioxo-pyrimidin-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-[dichloro(phosphonato)methyl]phosphinate
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| Structure |
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| Formula |
C25H25Cl2N2Na4O15P3S
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| Molecular Weight |
881.329
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| Canonical SMILES |
COc1ccc(C(c2ccc(OC)cc2)c2cn([C@@H]3O[C@H](COP(=O)([O-])OP(=O)([O-])C(Cl)(Cl)P(=O)([O-])[O-])[C@@H](O)[C@H]3O)c(=O)[nH]c2=S)cc1.[Na+].[Na+].[Na+].[Na+]
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| InChI |
InChI=1S/C25H29Cl2N2O15P3S.4Na/c1-40-15-7-3-13(4-8-15)19(14-5-9-16(41-2)10-6-14)17-11-29(24(32)28-22(17)48)23-21(31)20(30)18(43-23)12-42-47(38,39)44-46(36,37)25(26,27)45(33,34)35;;;;/h3-11,18-21,23,30-31H,12H2,1-2H3,(H,36,37)(H,38,39)(H,28,32,48)(H2,33,34,35);;;;/q;4*+1/p-4/t18-,20-,21-,23-;;;;/m1..../s1
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| InChIKey |
ZGRNKBHESITQLM-YVSJQLSUSA-J
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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