General Information of the Compound
| Compound ID |
CP0308281
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| Compound Name |
2-[1-(4-Bromo-benzenesulfonyl)-1,2,3,6-tetrahydro-pyridin-4-ylethynyl]-pyridine
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| Structure |
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| Formula |
C18H15BrN2O2S
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| Molecular Weight |
403.301
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| Canonical SMILES |
Brc1ccc(cc1)S(=O)(=O)N1CCC(=CC1)C#Cc1ccccn1
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| InChI |
InChI=1S/C18H15BrN2O2S/c19-16-5-8-18(9-6-16)24(22,23)21-13-10-15(11-14-21)4-7-17-3-1-2-12-20-17/h1-3,5-6,8-10,12H,11,13-14H2
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| InChIKey |
HMEVLPUHGYITTB-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