General Information of the Compound
| Compound ID |
CP0963581
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| Compound Name |
triethylamine hemi(((((2R,3S,4R,5R)-3,4-dihydroxy-5-((Z)-4-(4-methylbenzyloxyimino)-2-oxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methoxy)oxidophosphoryl)methylphosphonate)
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| Formula |
C30H55N5O11P2
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| Molecular Weight |
723.742
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| Canonical SMILES |
CCN(CC)CC.CCN(CC)CC.Cc1ccc(CO/N=c2/ccn([C@@H]3O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]3O)c(=O)[nH]2)cc1
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| InChI |
InChI=1S/C18H25N3O11P2.2C6H15N/c1-11-2-4-12(5-3-11)8-30-20-14-6-7-21(18(24)19-14)17-16(23)15(22)13(32-17)9-31-34(28,29)10-33(25,26)27;2*1-4-7(5-2)6-3/h2-7,13,15-17,22-23H,8-10H2,1H3,(H,28,29)(H,19,20,24)(H2,25,26,27);2*4-6H2,1-3H3/t13-,15-,16-,17-;;/m1../s1
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| InChIKey |
DUUXGMWGQKKRBW-HWPXOOKVSA-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