General Information of the Compound
| Compound ID |
CP0309686
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| Compound Name |
(7S,8R)-8-Ethyl-7-propyl-4-trifluoromethyl-6,7,8,9-tetrahydro-1H-pyrido[3,2-g]quinolin-2-one
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| Structure |
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| Formula |
C18H21F3N2O
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| Molecular Weight |
338.373
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| Canonical SMILES |
CCC[C@H]1Cc2cc3c(cc(=O)[nH]c3cc2N[C@@H]1CC)C(F)(F)F
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| InChI |
InChI=1S/C18H21F3N2O/c1-3-5-10-6-11-7-12-13(18(19,20)21)8-17(24)23-16(12)9-15(11)22-14(10)4-2/h7-10,14,22H,3-6H2,1-2H3,(H,23,24)/t10-,14+/m0/s1
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| InChIKey |
LKQVCHAPWKBQIA-IINYFYTJSA-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