General Information of the Compound
| Compound ID |
CP0310025
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| Compound Name |
(6R,7S)-7-methyl-4-(trifluoromethyl)-6-(3,3,3-trifluoropropyl)-6,7,8,9-tetrahydro-1H-pyrido[3,2-g]quinolin-2-one
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| Structure |
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| Formula |
C17H16F6N2O
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| Molecular Weight |
378.316
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| Canonical SMILES |
C[C@@H]1CNc2cc3[nH]c(=O)cc(c3cc2[C@@H]1CCC(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C17H16F6N2O/c1-8-7-24-13-6-14-11(12(17(21,22)23)5-15(26)25-14)4-10(13)9(8)2-3-16(18,19)20/h4-6,8-9,24H,2-3,7H2,1H3,(H,25,26)/t8-,9-/m1/s1
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| InChIKey |
MXPHFJGIBXHDIU-RKDXNWHRSA-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