General Information of the Compound
| Compound ID |
CP0210675
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| Compound Name |
4-bromo-1-[(2-chlorophenyl)methylsulfanyl]-5,6,7,8-tetrahydro-2H-isoquinolin-3-one
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| Structure |
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| Formula |
C16H15BrClNOS
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| Molecular Weight |
384.726
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| Canonical SMILES |
Clc1ccccc1CSc1[nH]c(=O)c(Br)c2CCCCc12
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| InChI |
InChI=1S/C16H15BrClNOS/c17-14-11-6-2-3-7-12(11)16(19-15(14)20)21-9-10-5-1-4-8-13(10)18/h1,4-5,8H,2-3,6-7,9H2,(H,19,20)
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| InChIKey |
IJQCBGJGWFOKBS-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