General Information of the Compound
| Compound ID |
CP0339219
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| Compound Name |
N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylquinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide
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| Structure |
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| Formula |
C25H27F3N4O4
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| Molecular Weight |
504.509
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| Canonical SMILES |
Cc1cc(nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12)N1CCN(CCO)CC1
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| InChI |
InChI=1S/C25H27F3N4O4/c1-17-14-23(32-10-8-31(9-11-32)12-13-33)30-22-7-2-18(15-21(17)22)29-24(34)16-35-19-3-5-20(6-4-19)36-25(26,27)28/h2-7,14-15,33H,8-13,16H2,1H3,(H,29,34)
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| InChIKey |
BUMJLIRKJQBOKV-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