General Information of the Compound
| Compound ID |
CP0565537
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| Compound Name |
6-methoxy-4-methyl-N-((1-(thiophen-3-ylmethyl)piperidin-3-yl)methyl)quinolin-2-amine
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| Structure |
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| Formula |
C22H27N3OS
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| Molecular Weight |
381.545
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| Canonical SMILES |
COc1ccc2nc(NCC3CCCN(Cc4ccsc4)C3)cc(C)c2c1
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| InChI |
InChI=1S/C22H27N3OS/c1-16-10-22(24-21-6-5-19(26-2)11-20(16)21)23-12-17-4-3-8-25(13-17)14-18-7-9-27-15-18/h5-7,9-11,15,17H,3-4,8,12-14H2,1-2H3,(H,23,24)
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| InChIKey |
DGKZDHGSOGHHHU-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