General Information of the Compound
| Compound ID |
CP0911026
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| Compound Name |
triethylamine hemi(((((2R,3S,4R,5R)-5-((Z)-4-(4-chlorobenzyloxyimino)-2-oxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)oxidophosphoryl)methylphosphonate)
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| Formula |
C29H52ClN5O11P2
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| Molecular Weight |
744.16
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| Canonical SMILES |
CCN(CC)CC.CCN(CC)CC.O=c1[nH]/c(=N\OCc2ccc(Cl)cc2)ccn1[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O
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| InChI |
InChI=1S/C17H22ClN3O11P2.2C6H15N/c18-11-3-1-10(2-4-11)7-30-20-13-5-6-21(17(24)19-13)16-15(23)14(22)12(32-16)8-31-34(28,29)9-33(25,26)27;2*1-4-7(5-2)6-3/h1-6,12,14-16,22-23H,7-9H2,(H,28,29)(H,19,20,24)(H2,25,26,27);2*4-6H2,1-3H3/t12-,14-,15-,16-;;/m1../s1
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| InChIKey |
TWOUPYQXZCJKOP-BWBFMJMBSA-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