General Information of the Compound
| Compound ID |
CP0538001
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| Compound Name |
6-Ethyl-5-(2-fluoro-ethylsulfanylcarbonyl)-2-phenyl-4-propyl-nicotinic acid propyl ester
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| Structure |
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| Formula |
C23H28FNO3S
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| Molecular Weight |
417.546
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| Canonical SMILES |
CCCOC(=O)c1c(CCC)c(C(=O)SCCF)c(CC)nc1-c1ccccc1
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| InChI |
InChI=1S/C23H28FNO3S/c1-4-10-17-19(23(27)29-15-13-24)18(6-3)25-21(16-11-8-7-9-12-16)20(17)22(26)28-14-5-2/h7-9,11-12H,4-6,10,13-15H2,1-3H3
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| InChIKey |
VXDBVCLWDJPKCF-UHFFFAOYSA-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