General Information of the Compound
| Compound ID |
CP0453493
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| Compound Name |
6-Ethyl-2-phenyl-4-propyl-5-[2-(tetrahydro-pyran-2-yloxy)-ethylsulfanylcarbonyl]-nicotinic acid propyl ester
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| Structure |
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| Formula |
C28H37NO5S
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| Molecular Weight |
499.673
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| Canonical SMILES |
CCCOC(=O)c1c(CCC)c(C(=O)SCCOC2CCCCO2)c(CC)nc1-c1ccccc1
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| InChI |
InChI=1S/C28H37NO5S/c1-4-12-21-24(28(31)35-19-18-33-23-15-10-11-17-32-23)22(6-3)29-26(20-13-8-7-9-14-20)25(21)27(30)34-16-5-2/h7-9,13-14,23H,4-6,10-12,15-19H2,1-3H3
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| InChIKey |
HXLNVSHAHOXVRR-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