General Information of the Compound
| Compound ID |
CP0415905
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| Compound Name |
S-tert-butyl 2-methyl-6-phenyl-4-[(E)-1-phenylprop-1-en-2-yl]-1,4-dihydropyridine-3-carbothioate
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| Structure |
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| Formula |
C26H29NOS
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| Molecular Weight |
403.591
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| Canonical SMILES |
C\C(=C/c1ccccc1)C1C=C(NC(C)=C1C(=O)SC(C)(C)C)c1ccccc1
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| InChI |
InChI=1S/C26H29NOS/c1-18(16-20-12-8-6-9-13-20)22-17-23(21-14-10-7-11-15-21)27-19(2)24(22)25(28)29-26(3,4)5/h6-17,22,27H,1-5H3/b18-16+
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| InChIKey |
MKONNNAFOIOGDI-FBMGVBCBSA-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