General Information of the Compound
| Compound ID |
CP0943088
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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)-(naphthalen-1-yloxy)-phosphoryloxymethyl]-tetrahydro-furan-3-yl ester
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| Structure |
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| Formula |
C30H37BrClN4O10P
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| Molecular Weight |
759.975
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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)Oc1cccc2ccccc12
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| InChI |
InChI=1S/C30H37BrClN4O10P/c1-16(2)24(33)27(39)45-25-22(44-28(30(25,31)32)36-14-13-23(37)34-29(36)40)15-42-47(41,35-18(5)26(38)43-17(3)4)46-21-12-8-10-19-9-6-7-11-20(19)21/h6-14,16-18,22,24-25,28H,15,33H2,1-5H3,(H,35,41)(H,34,37,40)/t18-,22+,24-,25+,28+,30-,47-/m0/s1
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| InChIKey |
WORYNCYYTQIJJT-RZPXDGBLSA-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