General Information of the Compound
| Compound ID |
CP0490324
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| Compound Name |
1-(6-methoxy-4-methylquinolin-2-yl)-N-(thiophen-3-ylmethyl)piperidin-4-amine
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| Structure |
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| Formula |
C21H25N3OS
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| Molecular Weight |
367.518
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| Canonical SMILES |
COc1ccc2nc(cc(C)c2c1)N1CCC(CC1)NCc1ccsc1
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| InChI |
InChI=1S/C21H25N3OS/c1-15-11-21(23-20-4-3-18(25-2)12-19(15)20)24-8-5-17(6-9-24)22-13-16-7-10-26-14-16/h3-4,7,10-12,14,17,22H,5-6,8-9,13H2,1-2H3
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| InChIKey |
CJAPRKZNLFALPD-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