General Information of the Compound
| Compound ID |
CP0430435
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| Compound Name |
N-(3-chlorophenyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-2-carboxamide
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| Structure |
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| Formula |
C17H17ClN2O3S
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| Molecular Weight |
364.854
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| Canonical SMILES |
CS(=O)(=O)N1C(CCc2ccccc12)C(=O)Nc1cccc(Cl)c1
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| InChI |
InChI=1S/C17H17ClN2O3S/c1-24(22,23)20-15-8-3-2-5-12(15)9-10-16(20)17(21)19-14-7-4-6-13(18)11-14/h2-8,11,16H,9-10H2,1H3,(H,19,21)
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| InChIKey |
RCDWAEAZTLYVHF-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