General Information of the Compound
| Compound ID |
CP0469589
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| Compound Name |
7-[[6-(2-methylpropoxy)pyridin-3-yl]sulfonylmethyl]-2,3,4,5-tetrahydro-1H-3-benzazepine
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| Structure |
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| Formula |
C20H26N2O3S
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| Molecular Weight |
374.506
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| Canonical SMILES |
CC(C)COc1ccc(cn1)S(=O)(=O)Cc1ccc2CCNCCc2c1
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| InChI |
InChI=1S/C20H26N2O3S/c1-15(2)13-25-20-6-5-19(12-22-20)26(23,24)14-16-3-4-17-7-9-21-10-8-18(17)11-16/h3-6,11-12,15,21H,7-10,13-14H2,1-2H3
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| InChIKey |
OQBHXYORJFPRAU-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