General Information of the Compound
| Compound ID |
CP0015141
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| Compound Name |
[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-benzoyloxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] benzoate
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| Structure |
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| Formula |
C24H24N5O15P3
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| Molecular Weight |
715.398
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| Canonical SMILES |
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1
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| InChI |
InChI=1S/C24H24N5O15P3/c25-20-17-21(27-12-26-20)29(13-28-17)22-19(42-24(31)15-9-5-2-6-10-15)18(41-23(30)14-7-3-1-4-8-14)16(40-22)11-39-46(35,36)44-47(37,38)43-45(32,33)34/h1-10,12-13,16,18-19,22H,11H2,(H,35,36)(H,37,38)(H2,25,26,27)(H2,32,33,34)/t16-,18-,19-,22-/m1/s1
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| InChIKey |
IKEQMDLYPNVQGH-WGQQHEPDSA-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: PT04758, P2X purinoceptor 1
Protein ID: PT04148, P2X purinoceptor 2
Protein ID: PT03393, P2X purinoceptor 3
Protein ID: PT02908, P2X purinoceptor 4
Protein ID: PT01449, P2X purinoceptor 7