General Information of the Compound
| Compound ID |
CP0556741
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| Compound Name |
S-tert-butyl 4-(4-bromophenyl)-2-methyl-6-(4-methylphenyl)-1,4-dihydropyridine-3-carbothioate
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| Structure |
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| Formula |
C24H26BrNOS
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| Molecular Weight |
456.449
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| Canonical SMILES |
CC1=C(C(C=C(N1)c1ccc(C)cc1)c1ccc(Br)cc1)C(=O)SC(C)(C)C
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| InChI |
InChI=1S/C24H26BrNOS/c1-15-6-8-18(9-7-15)21-14-20(17-10-12-19(25)13-11-17)22(16(2)26-21)23(27)28-24(3,4)5/h6-14,20,26H,1-5H3
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| InChIKey |
UNQJQSRUEFSRIG-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