General Information of the Compound
| Compound ID |
CP0453861
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| Compound Name |
N-(3-chlorophenyl)-1-(1-methylimidazol-4-yl)sulfonyl-3,4-dihydro-2H-quinoline-2-carboxamide
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| Structure |
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| Formula |
C20H19ClN4O3S
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| Molecular Weight |
430.917
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| Canonical SMILES |
Cn1cnc(c1)S(=O)(=O)N1C(CCc2ccccc12)C(=O)Nc1cccc(Cl)c1
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| InChI |
InChI=1S/C20H19ClN4O3S/c1-24-12-19(22-13-24)29(27,28)25-17-8-3-2-5-14(17)9-10-18(25)20(26)23-16-7-4-6-15(21)11-16/h2-8,11-13,18H,9-10H2,1H3,(H,23,26)
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| InChIKey |
BWLZWMAQNQUSKI-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