General Information of the Compound
| Compound ID |
CP0856372
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| Compound Name |
2-(2-Benzyloxy-ethyl)-3-ethylsulfanylcarbonyl-1-methyl-6-phenyl-5-propoxycarbonyl-4-propyl-pyridinium iodide
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| Structure |
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| Formula |
C31H38INO4S
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| Molecular Weight |
647.619
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| Canonical SMILES |
CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CCOCc2ccccc2)[n+](C)c1-c1ccccc1.[I-]
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| InChI |
InChI=1S/C31H38NO4S.HI/c1-5-14-25-27(31(34)37-7-3)26(19-21-35-22-23-15-10-8-11-16-23)32(4)29(24-17-12-9-13-18-24)28(25)30(33)36-20-6-2;/h8-13,15-18H,5-7,14,19-22H2,1-4H3;1H/q+1;/p-1
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| InChIKey |
RHWBVXDVHQJLNQ-UHFFFAOYSA-M
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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