General Information of the Compound
| Compound ID |
CP0947045
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| Compound Name |
tetrasodium [dichloro(phosphonato)methyl]-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-oxo-4-thioxo-5-(9H-xanthen-9-yl)pyrimidin-1-yl]tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-phosphinate
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| Structure |
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| Formula |
C23H19Cl2N2Na4O14P3S
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| Molecular Weight |
835.26
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| Canonical SMILES |
O=c1[nH]c(=S)c(C2c3ccccc3Oc3ccccc32)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/C23H23Cl2N2O14P3S.4Na/c24-23(25,42(31,32)33)43(34,35)41-44(36,37)38-10-16-18(28)19(29)21(40-16)27-9-13(20(45)26-22(27)30)17-11-5-1-3-7-14(11)39-15-8-4-2-6-12(15)17;;;;/h1-9,16-19,21,28-29H,10H2,(H,34,35)(H,36,37)(H,26,30,45)(H2,31,32,33);;;;/q;4*+1/p-4/t16-,18-,19-,21-;;;;/m1..../s1
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| InChIKey |
UQMGRTNHDUGBDZ-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