General Information of the Compound
| Compound ID |
CP0414948
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| Compound Name |
2,2-Dimethyl-8-methylsulfanyl-6-trifluoromethyl-1,2,3,4-tetrahydro-pyrido[3,2-g]quinoline
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| Structure |
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| Formula |
C16H17F3N2S
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| Molecular Weight |
326.387
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| Canonical SMILES |
CSc1cc(c2cc3CCC(C)(C)Nc3cc2n1)C(F)(F)F
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| InChI |
InChI=1S/C16H17F3N2S/c1-15(2)5-4-9-6-10-11(16(17,18)19)7-14(22-3)20-13(10)8-12(9)21-15/h6-8,21H,4-5H2,1-3H3
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| InChIKey |
HUHDCGBRWLGVOF-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