General Information of the Compound
| Compound ID |
CP0431688
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| Compound Name |
propan-2-yl (2S)-2-[[[(1R,3S,4S,5R)-3-(2,4-dioxopyrimidin-1-yl)-2,2-difluoro-4,5-dihydroxycyclopentyl]methoxy-phenoxyphosphoryl]amino]propanoate
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| Structure |
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| Formula |
C22H28F2N3O9P
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| Molecular Weight |
547.448
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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](n2ccc(=O)[nH]c2=O)C1(F)F)Oc1ccccc1
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| InChI |
InChI=1S/C22H28F2N3O9P/c1-12(2)35-20(31)13(3)26-37(33,36-14-7-5-4-6-8-14)34-11-15-17(29)18(30)19(22(15,23)24)27-10-9-16(28)25-21(27)32/h4-10,12-13,15,17-19,29-30H,11H2,1-3H3,(H,26,33)(H,25,28,32)/t13-,15+,17+,18+,19-,37-/m0/s1
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| InChIKey |
XVCXYQQVNUZWCD-ZLEDPVTFSA-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