General Information of the Compound
| Compound ID |
CP0415525
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| Compound Name |
({[({[(2R,3S,4R,5R)-4-(carbamoylamino)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
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| Structure |
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| Formula |
C10H17N4O15P3
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| Molecular Weight |
526.181
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| Canonical SMILES |
NC(=O)N[C@@H]1[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]1n1ccc(=O)[nH]c1=O
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| InChI |
InChI=1S/C10H17N4O15P3/c11-9(17)13-6-7(16)4(27-8(6)14-2-1-5(15)12-10(14)18)3-26-31(22,23)29-32(24,25)28-30(19,20)21/h1-2,4,6-8,16H,3H2,(H,22,23)(H,24,25)(H3,11,13,17)(H,12,15,18)(H2,19,20,21)/t4-,6-,7-,8-/m1/s1
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| InChIKey |
FJFHGGAQNNVYRH-XVFCMESISA-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
Protein ID: PT02796, P2Y purinoceptor 6