General Information of the Compound
| Compound ID |
CP0958083
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| Compound Name |
(S)-2-Amino-3-methyl-butyric acid (2R,3R,4R,5R)-4-bromo-4-chloro-5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2-[(S)-((S)-1-isopropoxycarbonyl-ethylamino)-phenoxy-phosphoryloxymethyl]-tetrahydro-furan-3-yl ester
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| Structure |
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| Formula |
C26H35BrClN4O10P
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| Molecular Weight |
709.915
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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]1OC(=O)[C@@H](N)C(C)C)Oc1ccccc1
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| InChI |
InChI=1S/C26H35BrClN4O10P/c1-14(2)20(29)23(35)41-21-18(40-24(26(21,27)28)32-12-11-19(33)30-25(32)36)13-38-43(37,42-17-9-7-6-8-10-17)31-16(5)22(34)39-15(3)4/h6-12,14-16,18,20-21,24H,13,29H2,1-5H3,(H,31,37)(H,30,33,36)/t16-,18+,20-,21+,24+,26-,43-/m0/s1
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| InChIKey |
QDMZZSLYVRFFTC-ZWJDUMHLSA-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