General Information of the Compound
| Compound ID |
CP0015142
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| Compound Name |
[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]-4-(naphthalene-1-carbonyloxy)oxolan-3-yl] naphthalene-1-carboxylate
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| Structure |
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| Formula |
C32H28N5O15P3
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| Molecular Weight |
815.518
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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)c2cccc3ccccc23)[C@H]1OC(=O)c1cccc2ccccc12
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| InChI |
InChI=1S/C32H28N5O15P3/c33-28-25-29(35-16-34-28)37(17-36-25)30-27(50-32(39)23-14-6-10-19-8-2-4-12-21(19)23)26(49-31(38)22-13-5-9-18-7-1-3-11-20(18)22)24(48-30)15-47-54(43,44)52-55(45,46)51-53(40,41)42/h1-14,16-17,24,26-27,30H,15H2,(H,43,44)(H,45,46)(H2,33,34,35)(H2,40,41,42)/t24-,26-,27-,30-/m1/s1
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| InChIKey |
PSBROSWEMLTASJ-BQOYKFDPSA-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