General Information of the Compound
| Compound ID |
CP0555129
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| Compound Name |
6-[5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]sulfonylquinoline
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| Structure |
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| Formula |
C23H21N3O3S
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| Molecular Weight |
419.506
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| Canonical SMILES |
COc1ccc2n(cc(C3=CCNCC3)c2c1)S(=O)(=O)c1ccc2ncccc2c1
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| InChI |
InChI=1S/C23H21N3O3S/c1-29-18-4-7-23-20(14-18)21(16-8-11-24-12-9-16)15-26(23)30(27,28)19-5-6-22-17(13-19)3-2-10-25-22/h2-8,10,13-15,24H,9,11-12H2,1H3
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| InChIKey |
PLBGANAGCVWTRS-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