General Information of the Compound
| Compound ID |
CP0914213
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| Compound Name |
[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(methoxyimino)-2-oxo-1,2,3,4-tetrahydropyrimidin-1-yl]oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid
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| Structure |
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| Formula |
C16H31N3O11P2
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| Molecular Weight |
503.382
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| Canonical SMILES |
CCN(CC)CC.CP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O
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| InChI |
InChI=1S/C10H16N2O11P2.C6H15N/c1-24(17,18)23-25(19,20)21-4-5-7(14)8(15)9(22-5)12-3-2-6(13)11-10(12)16;1-4-7(5-2)6-3/h2-3,5,7-9,14-15H,4H2,1H3,(H,17,18)(H,19,20)(H,11,13,16);4-6H2,1-3H3/t5-,7-,8-,9-;/m1./s1
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| InChIKey |
MUMMMUCMQCQFST-BKZSBQMKSA-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: PT05434, P2Y purinoceptor 14
Protein ID: PT02796, P2Y purinoceptor 6