General Information of the Compound
| Compound ID |
CP0528716
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| Compound Name |
2-[3-(aminomethyl)-4-(4-fluorophenyl)-2-(2-methylpropyl)quinolin-6-yl]oxyacetamide
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| Structure |
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| Formula |
C22H24FN3O2
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| Molecular Weight |
381.451
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| Canonical SMILES |
CC(C)Cc1nc2ccc(OCC(N)=O)cc2c(-c2ccc(F)cc2)c1CN
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| InChI |
InChI=1S/C22H24FN3O2/c1-13(2)9-20-18(11-24)22(14-3-5-15(23)6-4-14)17-10-16(28-12-21(25)27)7-8-19(17)26-20/h3-8,10,13H,9,11-12,24H2,1-2H3,(H2,25,27)
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| InChIKey |
JNCVZAAHUDOUOH-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