General Information of the Compound
| Compound ID |
CP0440666
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| Compound Name |
[2-[1-(2-acetamidoethyl)triazol-4-yl]ethoxy-hydroxyphosphoryl] [[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-oxo-4-(phenylmethoxyamino)pyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate
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| Structure |
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| Formula |
C24H34N7O16P3
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| Molecular Weight |
769.491
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| Canonical SMILES |
CC(=O)NCCn1cc(CCOP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cc\c(=N\OCc3ccccc3)[nH]c2=O)nn1
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| InChI |
InChI=1S/C24H34N7O16P3/c1-16(32)25-9-11-30-13-18(27-29-30)8-12-43-48(36,37)46-50(40,41)47-49(38,39)44-15-19-21(33)22(34)23(45-19)31-10-7-20(26-24(31)35)28-42-14-17-5-3-2-4-6-17/h2-7,10,13,19,21-23,33-34H,8-9,11-12,14-15H2,1H3,(H,25,32)(H,36,37)(H,38,39)(H,40,41)(H,26,28,35)/t19-,21-,22-,23-/m1/s1
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| InChIKey |
RYWQVZLIGJOUIY-JMJGKCIBSA-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