General Information of the Compound
| Compound ID |
CP0523664
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| Compound Name |
(E)-N-[(1R)-1-[3-(2,2-difluoroethoxy)phenyl]ethyl]-5-(2,4-dioxopyrimidin-1-yl)pent-3-ene-1-sulfonamide
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| Structure |
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| Formula |
C19H23F2N3O5S
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| Molecular Weight |
443.472
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| Canonical SMILES |
C[C@@H](NS(=O)(=O)CC\C=C\Cn1ccc(=O)[nH]c1=O)c1cccc(OCC(F)F)c1
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| InChI |
InChI=1S/C19H23F2N3O5S/c1-14(15-6-5-7-16(12-15)29-13-17(20)21)23-30(27,28)11-4-2-3-9-24-10-8-18(25)22-19(24)26/h2-3,5-8,10,12,14,17,23H,4,9,11,13H2,1H3,(H,22,25,26)/b3-2+/t14-/m1/s1
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| InChIKey |
MCNLOUKNJDKJSH-BAABZTOOSA-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