General Information of the Compound
| Compound ID |
CP0874895
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| Compound Name |
[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-[(4E)-4-(methoxyimino)-2-oxo-1,2,3,4-tetrahydropyrimidin-1-yl]oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid hydrochloride
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| Structure |
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| Formula |
C10H18ClN3O12P2
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| Molecular Weight |
469.664
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| Canonical SMILES |
CO/N=c1\ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1.Cl
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| InChI |
InChI=1S/C10H17N3O12P2.ClH/c1-22-12-6-2-3-13(10(16)11-6)9-8(15)7(14)5(24-9)4-23-27(20,21)25-26(17,18)19;/h2-3,5,7-9,14-15H,4H2,1H3,(H,20,21)(H,11,12,16)(H2,17,18,19);1H/t5-,7-,8-,9-;/m1./s1
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| InChIKey |
BVTIAMPBWIRHKX-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