General Information of the Compound
| Compound ID |
CP0406773
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| Compound Name |
((1S,2S,4S,5S)-4-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-hydroxybicyclo[3.1.0]hexan-1-yl)methyl tetrahydrogen triphosphate
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| Structure |
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| Formula |
C11H17N2O13P3
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| Molecular Weight |
478.18
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| Canonical SMILES |
O[C@H]1C[C@@H]([C@H]2C[C@]12COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc(=O)[nH]c1=O
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| InChI |
InChI=1S/C11H17N2O13P3/c14-8-3-7(13-2-1-9(15)12-10(13)16)6-4-11(6,8)5-24-28(20,21)26-29(22,23)25-27(17,18)19/h1-2,6-8,14H,3-5H2,(H,20,21)(H,22,23)(H,12,15,16)(H2,17,18,19)/t6-,7+,8+,11-/m1/s1
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| InChIKey |
RPNVUPIADXEPEY-OFHVYEONSA-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: PT05219, P2Y purinoceptor 4