General Information of the Compound
| Compound ID |
CP0842131
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| Compound Name |
triethylamine hemi(((((2R,3S,4R,5R)-3,4-dihydroxy-5-((Z)-2-oxo-4-(4-(trifluoromethyl)benzyloxyimino)-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methoxy)oxidophosphoryl)methylphosphonate)
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| Formula |
C30H52F3N5O11P2
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| Molecular Weight |
777.712
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| Canonical SMILES |
CCN(CC)CC.CCN(CC)CC.O=c1[nH]/c(=N\OCc2ccc(C(F)(F)F)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/C18H22F3N3O11P2.2C6H15N/c19-18(20,21)11-3-1-10(2-4-11)7-33-23-13-5-6-24(17(27)22-13)16-15(26)14(25)12(35-16)8-34-37(31,32)9-36(28,29)30;2*1-4-7(5-2)6-3/h1-6,12,14-16,25-26H,7-9H2,(H,31,32)(H,22,23,27)(H2,28,29,30);2*4-6H2,1-3H3/t12-,14-,15-,16-;;/m1../s1
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| InChIKey |
QWSOMDIYNCKXOO-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