General Information of the Compound
| Compound ID |
CP0009840
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| Compound Name |
4-[3-bromo-5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)thiophen-2-yl]-2,2,6,6-tetramethyl-1,3-dihydropyridine
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| Structure |
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| Formula |
C22H33BrN2S
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| Molecular Weight |
437.491
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| Canonical SMILES |
CC1(C)CC(=CC(C)(C)N1)c1cc(Br)c(s1)C1=CC(C)(C)NC(C)(C)C1
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| InChI |
InChI=1S/C22H33BrN2S/c1-19(2)10-14(11-20(3,4)24-19)17-9-16(23)18(26-17)15-12-21(5,6)25-22(7,8)13-15/h9-10,12,24-25H,11,13H2,1-8H3
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| InChIKey |
POOCWJBLXSCRRR-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
Protein ID: PT03245, Acetylcholine-binding protein
Protein ID: PT01846, Neuronal acetylcholine receptor subunit alpha-7