General Information of the Compound
| Compound ID |
CP0954080
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| Compound Name |
(S)-isopropyl 2-((S)-(((2R,3R,4R,5R)-4-bromo-4-chloro-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-hydroxytetrahydrofuran-2-yl)methoxy)(naphthalen-1-yloxy)phosphorylamino)propanoate
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| Structure |
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| Formula |
C25H28BrClN3O9P
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| Molecular Weight |
660.842
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| Canonical SMILES |
CC(C)OC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](Cl)(Br)[C@@H]1O)Oc1cccc2ccccc12
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| InChI |
InChI=1S/C25H28BrClN3O9P/c1-14(2)37-22(33)15(3)29-40(35,39-18-10-6-8-16-7-4-5-9-17(16)18)36-13-19-21(32)25(26,27)23(38-19)30-12-11-20(31)28-24(30)34/h4-12,14-15,19,21,23,32H,13H2,1-3H3,(H,29,35)(H,28,31,34)/t15-,19+,21+,23+,25-,40-/m0/s1
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| InChIKey |
TURPSZSSRXGGEW-CFFQZQKJSA-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