General Information of the Compound
| Compound ID |
CP0237982
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| Compound Name |
4-benzylsulfanyl-2-oxo-5,6-dihydro-3H-benzo[f]isoquinoline-1-carbonitrile
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| Structure |
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| Formula |
C21H16N2OS
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| Molecular Weight |
344.439
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| Canonical SMILES |
O=c1[nH]c(SCc2ccccc2)c2CCc3ccccc3-c2c1C#N
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| InChI |
InChI=1S/C21H16N2OS/c22-12-18-19-16-9-5-4-8-15(16)10-11-17(19)21(23-20(18)24)25-13-14-6-2-1-3-7-14/h1-9H,10-11,13H2,(H,23,24)
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| InChIKey |
QVUNFYOXAPUVEZ-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