General Information of the Compound
| Compound ID |
CP0169240
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| Compound Name |
1-[(2-chlorophenyl)methylsulfanyl]-5,6,7,8-tetrahydro-2H-isoquinolin-3-one
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| Structure |
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| Formula |
C16H16ClNOS
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| Molecular Weight |
305.83
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| Canonical SMILES |
Clc1ccccc1CSc1[nH]c(=O)cc2CCCCc12
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| InChI |
InChI=1S/C16H16ClNOS/c17-14-8-4-2-6-12(14)10-20-16-13-7-3-1-5-11(13)9-15(19)18-16/h2,4,6,8-9H,1,3,5,7,10H2,(H,18,19)
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| InChIKey |
HCJIXIBNRWUUJA-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