General Information of the Compound
| Compound ID |
CP0572696
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| Compound Name |
(2S)-1-[3-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-4-propoxyphenyl]sulfonylpyrrolidine-2-carboxylic acid
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| Structure |
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| Formula |
C22H29N3O6S
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| Molecular Weight |
463.556
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| Canonical SMILES |
CCCOc1ccc(cc1-c1nc(CC)c(CC)c(=O)[nH]1)S(=O)(=O)N1CCC[C@H]1C(O)=O
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| InChI |
InChI=1S/C22H29N3O6S/c1-4-12-31-19-10-9-14(32(29,30)25-11-7-8-18(25)22(27)28)13-16(19)20-23-17(6-3)15(5-2)21(26)24-20/h9-10,13,18H,4-8,11-12H2,1-3H3,(H,27,28)(H,23,24,26)/t18-/m0/s1
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| InChIKey |
LQCPQKMDKUNQLG-SFHVURJKSA-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