General Information of the Compound
| Compound ID |
CP0956580
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| Compound Name |
tetrasodium [[(2R,3S,4R,5R)-5-[5-[bis(3,4-dichlorophenyl)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 |
C23H17Cl6N2Na4O13P3S
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| Molecular Weight |
959.057
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| Canonical SMILES |
O=c1[nH]c(=S)c(C(c2ccc(Cl)c(Cl)c2)c2ccc(Cl)c(Cl)c2)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/C23H21Cl6N2O13P3S.4Na/c24-12-3-1-9(5-14(12)26)17(10-2-4-13(25)15(27)6-10)11-7-31(22(34)30-20(11)48)21-19(33)18(32)16(43-21)8-42-47(40,41)44-46(38,39)23(28,29)45(35,36)37;;;;/h1-7,16-19,21,32-33H,8H2,(H,38,39)(H,40,41)(H,30,34,48)(H2,35,36,37);;;;/q;4*+1/p-4/t16-,18-,19-,21-;;;;/m1..../s1
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| InChIKey |
WLTGGYIOGUQJFK-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