General Information of the Compound
| Compound ID |
CP0576071
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| Compound Name |
ethyl 8-methoxy-4-[4-[2-(trifluoromethoxy)phenyl]piperazin-1-yl]quinoline-3-carboxylate
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| Formula |
C24H24F3N3O4
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| Molecular Weight |
475.467
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| Canonical SMILES |
CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(CC1)c1ccccc1OC(F)(F)F
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| InChI |
InChI=1S/C24H24F3N3O4/c1-3-33-23(31)17-15-28-21-16(7-6-10-20(21)32-2)22(17)30-13-11-29(12-14-30)18-8-4-5-9-19(18)34-24(25,26)27/h4-10,15H,3,11-14H2,1-2H3
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| InChIKey |
ZPTDVPXWVUZVAA-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