General Information of the Compound
| Compound ID |
CP0093369
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| Compound Name |
1-[(2-chlorophenyl)methylsulfanyl]-3-oxo-2H-isoquinoline-4-carbonitrile
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| Structure |
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| Formula |
C17H11ClN2OS
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| Molecular Weight |
326.808
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| Canonical SMILES |
Clc1ccccc1CSc1[nH]c(=O)c(C#N)c2ccccc12
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| InChI |
InChI=1S/C17H11ClN2OS/c18-15-8-4-1-5-11(15)10-22-17-13-7-3-2-6-12(13)14(9-19)16(21)20-17/h1-8H,10H2,(H,20,21)
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| InChIKey |
FDURBUWDAYHPDW-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