General Information of the Compound
| Compound ID |
CP0473567
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| Compound Name |
[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-oxo-4-(2-phenylethoxyamino)pyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
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| Synonyms |
N4-(phenylethoxy)-CTP
N4-phenylethoxycytidine-5'-triphosphate
compound 15 [PMID:21528910]
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| Structure |
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| Formula |
C17H24N3O15P3
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| Molecular Weight |
603.307
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| Canonical SMILES |
O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(NOCCc2ccccc2)nc1=O
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| InChI |
InChI=1S/C17H24N3O15P3/c21-14-12(10-32-37(27,28)35-38(29,30)34-36(24,25)26)33-16(15(14)22)20-8-6-13(18-17(20)23)19-31-9-7-11-4-2-1-3-5-11/h1-6,8,12,14-16,21-22H,7,9-10H2,(H,27,28)(H,29,30)(H,18,19,23)(H2,24,25,26)/t12-,14-,15-,16-/m1/s1
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| InChIKey |
WREOTYWODABZMH-DTZQCDIJSA-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
Clinical Information about the Compound