General Information of the Compound
| Compound ID |
CP0478192
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| Compound Name |
[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-oxo-4-(phenylmethoxyamino)pyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] [hydroxy(pent-4-ynoxy)phosphoryl] hydrogen phosphate
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| Structure |
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| Formula |
C21H28N3O15P3
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| Molecular Weight |
655.383
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| Canonical SMILES |
O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OCCCC#C)O[C@H]([C@@H]1O)n1cc\c(=N\OCc2ccccc2)[nH]c1=O
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| InChI |
InChI=1S/C21H28N3O15P3/c1-2-3-7-12-35-40(28,29)38-42(32,33)39-41(30,31)36-14-16-18(25)19(26)20(37-16)24-11-10-17(22-21(24)27)23-34-13-15-8-5-4-6-9-15/h1,4-6,8-11,16,18-20,25-26H,3,7,12-14H2,(H,28,29)(H,30,31)(H,32,33)(H,22,23,27)/t16-,18-,19-,20-/m1/s1
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| InChIKey |
UHMCRGZAOAAOPQ-VBSBHUPXSA-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