General Information of the Compound
| Compound ID |
CP0866568
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| Compound Name |
(2S)-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)propyl 2-methoxyacetate
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| Structure |
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| Formula |
C21H26BrClN3O10P
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| Molecular Weight |
626.781
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| Canonical SMILES |
COCC(=O)OC[C@H](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/C21H26BrClN3O10P/c1-13(10-33-17(28)12-32-2)25-37(31,36-14-6-4-3-5-7-14)34-11-15-18(29)21(22,23)19(35-15)26-9-8-16(27)24-20(26)30/h3-9,13,15,18-19,29H,10-12H2,1-2H3,(H,25,31)(H,24,27,30)/t13-,15+,18+,19+,21-,37?/m0/s1
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| InChIKey |
PKYPTCWQZCJDHK-DQTPJUIMSA-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