General Information of the Compound
| Compound ID |
CP0734914
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| Compound Name |
5-Ethylsulfanylcarbonyl-6-methyl-2-phenyl-4-propyl-1,4-dihydro-pyridine-3-carboxylic acid ethyl ester
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| Formula |
C21H27NO3S
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| Molecular Weight |
373.518
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| Canonical SMILES |
CCCC1C(C(=O)OCC)=C(c2ccccc2)N=C(C)/C1=C(/O)SCC
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| InChI |
InChI=1S/C21H27NO3S/c1-5-11-16-17(21(24)26-7-3)14(4)22-19(15-12-9-8-10-13-15)18(16)20(23)25-6-2/h8-10,12-13,16,24H,5-7,11H2,1-4H3/b21-17+
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| InChIKey |
DQAPCAIOIAMAQE-HEHNFIMWSA-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