General Information of the Compound
| Compound ID |
CP0870589
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| Compound Name |
ethyl 2-((((2R,3R,4R,5R)-4-bromo-4-chloro-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-hydroxytetrahydrofuran-2-yl)methoxy)(phenoxy)phosphorylamino)-2-methylpropanoate
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| Structure |
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| Formula |
C21H26BrClN3O9P
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| Molecular Weight |
610.782
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| Canonical SMILES |
CCOC(=O)C(C)(C)NP(=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](Cl)(Br)[C@@H]1O)Oc1ccccc1
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| InChI |
InChI=1S/C21H26BrClN3O9P/c1-4-32-18(29)20(2,3)25-36(31,35-13-8-6-5-7-9-13)33-12-14-16(28)21(22,23)17(34-14)26-11-10-15(27)24-19(26)30/h5-11,14,16-17,28H,4,12H2,1-3H3,(H,25,31)(H,24,27,30)/t14-,16-,17-,21+,36?/m1/s1
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| InChIKey |
KJDMHQIHCXUXAM-GSYFMOABSA-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