General Information of the Compound
| Compound ID |
CP0380553
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| Compound Name |
S-tert-butyl 2-methyl-4,6-bis(4-methylphenyl)-1,4-dihydropyridine-3-carbothioate
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| Structure |
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| Formula |
C25H29NOS
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| Molecular Weight |
391.58
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| Canonical SMILES |
CC1=C(C(C=C(N1)c1ccc(C)cc1)c1ccc(C)cc1)C(=O)SC(C)(C)C
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| InChI |
InChI=1S/C25H29NOS/c1-16-7-11-19(12-8-16)21-15-22(20-13-9-17(2)10-14-20)26-18(3)23(21)24(27)28-25(4,5)6/h7-15,21,26H,1-6H3
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| InChIKey |
LLDHTTUPQLNXDV-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