General Information of the Compound
| Compound ID |
CP0852111
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| Compound Name |
3-(2-phenylethylthio)-5-ethyl-2-methyl-4-propyl-6-phenyl-1,4-(+)-dihydropyridin-3,5-dicarboxylate
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| Structure |
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| Formula |
C27H31NO3S
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| Molecular Weight |
449.616
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| Canonical SMILES |
CCCC1C(C(=O)SCCc2ccccc2)=C(C)NC(c2ccccc2)=C1C(=O)OCC
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| InChI |
InChI=1S/C27H31NO3S/c1-4-12-22-23(27(30)32-18-17-20-13-8-6-9-14-20)19(3)28-25(21-15-10-7-11-16-21)24(22)26(29)31-5-2/h6-11,13-16,22,28H,4-5,12,17-18H2,1-3H3
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| InChIKey |
SUYKVUOLPAAYLK-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