General Information of the Compound
| Compound ID |
CP0538196
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| Compound Name |
1-[(1S,3R,4R,5S)-2,2-difluoro-4,5-dihydroxy-3-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C10H12F2N2O5
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| Molecular Weight |
278.211
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| Canonical SMILES |
OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)C1(F)F
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| InChI |
InChI=1S/C10H12F2N2O5/c11-10(12)4(3-15)6(17)7(18)8(10)14-2-1-5(16)13-9(14)19/h1-2,4,6-8,15,17-18H,3H2,(H,13,16,19)/t4-,6-,7-,8+/m1/s1
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| InChIKey |
JCNIUPLWTOKDLE-JBBNEOJLSA-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