General Information of the Compound
| Compound ID |
CP0965349
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| Compound Name |
triethylamine hemi(((2R,3S,4R,5R)-3,4-dihydroxy-5-((Z)-4-(2-(methoxycarbonyl)hydrazono)-2-oxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methyl diphosphate)
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| Formula |
C23H48N6O13P2
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| Molecular Weight |
678.614
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| Canonical SMILES |
CCN(CC)CC.CCN(CC)CC.COC(=O)N/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
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| InChI |
InChI=1S/C11H18N4O13P2.2C6H15N/c1-25-11(19)14-13-6-2-3-15(10(18)12-6)9-8(17)7(16)5(27-9)4-26-30(23,24)28-29(20,21)22;2*1-4-7(5-2)6-3/h2-3,5,7-9,16-17H,4H2,1H3,(H,14,19)(H,23,24)(H,12,13,18)(H2,20,21,22);2*4-6H2,1-3H3/t5-,7-,8-,9-;;/m1../s1
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| InChIKey |
SCOQQYCSSMCVHJ-BAZBJWKESA-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