General Information of the Compound
| Compound ID |
CP0404427
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| Compound Name |
(6R,7R)-6,7-diethyl-4-(trifluoromethyl)-6,7,8,9-tetrahydropyrano[3,2-g]quinolin-2-one
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| Structure |
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| Formula |
C17H18F3NO2
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| Molecular Weight |
325.33
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| Canonical SMILES |
CC[C@H]1CNc2cc3oc(=O)cc(c3cc2[C@@H]1CC)C(F)(F)F
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| InChI |
InChI=1S/C17H18F3NO2/c1-3-9-8-21-14-7-15-12(5-11(14)10(9)4-2)13(17(18,19)20)6-16(22)23-15/h5-7,9-10,21H,3-4,8H2,1-2H3/t9-,10+/m0/s1
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| InChIKey |
ABMNASWKARFNAA-VHSXEESVSA-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