General Information of the Compound
| Compound ID |
CP0966034
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| Compound Name |
triethylamine hemi(((((2R,3S,4R,5R)-3,4-dihydroxy-5-((Z)-4-(3-(methoxycarbonyl)benzyloxyimino)-2-oxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methoxy)oxidophosphoryl)methylphosphonate)
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| Formula |
C31H55N5O13P2
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| Molecular Weight |
767.751
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| Canonical SMILES |
CCN(CC)CC.CCN(CC)CC.COC(=O)c1cccc(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)c1
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| InChI |
InChI=1S/C19H25N3O13P2.2C6H15N/c1-32-18(25)12-4-2-3-11(7-12)8-33-21-14-5-6-22(19(26)20-14)17-16(24)15(23)13(35-17)9-34-37(30,31)10-36(27,28)29;2*1-4-7(5-2)6-3/h2-7,13,15-17,23-24H,8-10H2,1H3,(H,30,31)(H,20,21,26)(H2,27,28,29);2*4-6H2,1-3H3/t13-,15-,16-,17-;;/m1../s1
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| InChIKey |
AWQARGMGUFRNPK-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