General Information of the Compound
| Compound ID |
CP0454276
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| Compound Name |
8-Butylsulfanyl-2,2-dimethyl-6-trifluoromethyl-1,2,3,4-tetrahydro-pyrido[3,2-g]quinoline
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| Structure |
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| Formula |
C19H23F3N2S
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| Molecular Weight |
368.468
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| Canonical SMILES |
CCCCSc1cc(c2cc3CCC(C)(C)Nc3cc2n1)C(F)(F)F
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| InChI |
InChI=1S/C19H23F3N2S/c1-4-5-8-25-17-10-14(19(20,21)22)13-9-12-6-7-18(2,3)24-15(12)11-16(13)23-17/h9-11,24H,4-8H2,1-3H3
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| InChIKey |
VAWAQUCTWORRFF-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