General Information of the Compound
| Compound ID |
CP0421103
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| Compound Name |
N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-pyridin-4-ylsulfanylacetamide
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| Structure |
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| Formula |
C23H27N5OS
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| Molecular Weight |
421.57
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| Canonical SMILES |
CCN1CCN(CC1)c1cc(C)c2cc(NC(=O)CSc3ccncc3)ccc2n1
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| InChI |
InChI=1S/C23H27N5OS/c1-3-27-10-12-28(13-11-27)22-14-17(2)20-15-18(4-5-21(20)26-22)25-23(29)16-30-19-6-8-24-9-7-19/h4-9,14-15H,3,10-13,16H2,1-2H3,(H,25,29)
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| InChIKey |
QUVDEYLFACHOLE-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