General Information of the Compound
| Compound ID |
CP0379962
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| Compound Name |
1-methylsulfonyl-N-pyridin-2-yl-3,4-dihydro-2H-quinoline-2-carboxamide
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| Structure |
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| Formula |
C16H17N3O3S
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| Molecular Weight |
331.397
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| Canonical SMILES |
CS(=O)(=O)N1C(CCc2ccccc12)C(=O)Nc1ccccn1
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| InChI |
InChI=1S/C16H17N3O3S/c1-23(21,22)19-13-7-3-2-6-12(13)9-10-14(19)16(20)18-15-8-4-5-11-17-15/h2-8,11,14H,9-10H2,1H3,(H,17,18,20)
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| InChIKey |
RLLOWFINTIUPOI-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