General Information of the Compound
| Compound ID |
CP0961072
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| Compound Name |
tetrasodium [[(2R,3S,4R,5R)-5-[5-[bis(4-chlorophenyl)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 |
C23H19Cl4N2Na4O13P3S
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| Molecular Weight |
890.167
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| Canonical SMILES |
O=c1[nH]c(=S)c(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cn1[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])C(Cl)(Cl)P(=O)([O-])[O-])[C@@H](O)[C@H]1O.[Na+].[Na+].[Na+].[Na+]
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| InChI |
InChI=1S/C23H23Cl4N2O13P3S.4Na/c24-13-5-1-11(2-6-13)17(12-3-7-14(25)8-4-12)15-9-29(22(32)28-20(15)46)21-19(31)18(30)16(41-21)10-40-45(38,39)42-44(36,37)23(26,27)43(33,34)35;;;;/h1-9,16-19,21,30-31H,10H2,(H,36,37)(H,38,39)(H,28,32,46)(H2,33,34,35);;;;/q;4*+1/p-4/t16-,18-,19-,21-;;;;/m1..../s1
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| InChIKey |
WVVISCXKAMWOKQ-WGLAORFKSA-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