General Information of the Compound
| Compound ID |
CP0097397
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| Compound Name |
2-(3,4-Dihydro-2H-quinoline-1-carbonyl)-4-isopropyl-3-methyl-2H-isoxazol-5-one
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| Structure |
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| Formula |
C17H20N2O3
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| Molecular Weight |
300.358
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| Canonical SMILES |
CC(C)c1c(C)n(oc1=O)C(=O)N1CCCc2ccccc12
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| InChI |
InChI=1S/C17H20N2O3/c1-11(2)15-12(3)19(22-16(15)20)17(21)18-10-6-8-13-7-4-5-9-14(13)18/h4-5,7,9,11H,6,8,10H2,1-3H3
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| InChIKey |
PANJZDWZVPHSFL-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