General Information of the Compound
| Compound ID |
CP0539329
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| Compound Name |
propan-2-yl (2S)-2-[[[(1R,2R,3S,4S,5R)-3-(2,4-dioxopyrimidin-1-yl)-2-fluoro-4,5-dihydroxycyclopentyl]methoxy-phenoxyphosphoryl]amino]propanoate
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| Structure |
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| Formula |
C22H29FN3O9P
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| Molecular Weight |
529.458
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| Canonical SMILES |
CC(C)OC(=O)[C@H](C)N[P@](=O)(OC[C@@H]1[C@@H](O)[C@@H](O)[C@@H]([C@@H]1F)n1ccc(=O)[nH]c1=O)Oc1ccccc1
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| InChI |
InChI=1S/C22H29FN3O9P/c1-12(2)34-21(30)13(3)25-36(32,35-14-7-5-4-6-8-14)33-11-15-17(23)18(20(29)19(15)28)26-10-9-16(27)24-22(26)31/h4-10,12-13,15,17-20,28-29H,11H2,1-3H3,(H,25,32)(H,24,27,31)/t13-,15-,17+,18+,19+,20-,36-/m0/s1
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| InChIKey |
SODFNTMAYNVTHK-PRSQLNEGSA-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