General Information of the Compound
| Compound ID |
CP0440665
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| Compound Name |
[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(methoxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] [hydroxy(naphthalen-2-yloxy)phosphoryl] hydrogen phosphate
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| Structure |
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| Formula |
C20H24N3O15P3
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| Molecular Weight |
639.34
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| Canonical SMILES |
CO\N=c1\ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)Oc3ccc4ccccc4c3)[C@@H](O)[C@H]2O)c(=O)[nH]1
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| InChI |
InChI=1S/C20H24N3O15P3/c1-33-22-16-8-9-23(20(26)21-16)19-18(25)17(24)15(35-19)11-34-39(27,28)37-41(31,32)38-40(29,30)36-14-7-6-12-4-2-3-5-13(12)10-14/h2-10,15,17-19,24-25H,11H2,1H3,(H,27,28)(H,29,30)(H,31,32)(H,21,22,26)/t15-,17-,18-,19-/m1/s1
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| InChIKey |
ONBWUVFXPXDHHZ-NXWXRZEISA-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
Protein ID: PT04714, P2Y purinoceptor 2
Protein ID: PT02796, P2Y purinoceptor 6