General Information of the Compound
| Compound ID |
CP0502370
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| Compound Name |
6-(2-Benzyloxy-ethyl)-5-ethylsulfanylcarbonyl-2-phenyl-4-propyl-nicotinic acid propyl ester
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| Structure |
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| Formula |
C30H35NO4S
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| Molecular Weight |
505.68
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| Canonical SMILES |
CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CCOCc2ccccc2)nc1-c1ccccc1
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| InChI |
InChI=1S/C30H35NO4S/c1-4-13-24-26(30(33)36-6-3)25(18-20-34-21-22-14-9-7-10-15-22)31-28(23-16-11-8-12-17-23)27(24)29(32)35-19-5-2/h7-12,14-17H,4-6,13,18-21H2,1-3H3
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| InChIKey |
MLZASNZDHXCTSB-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