General Information of the Compound
| Compound ID |
CP0034946
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| Compound Name |
N-[4-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide
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| Structure |
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| Formula |
C25H27F3N4O3
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| Molecular Weight |
488.51
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| Canonical SMILES |
CN1CCCN(CC1)c1cc(C)c2cc(NC(=O)COc3ccc(OC(F)(F)F)cc3)ccc2n1
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| InChI |
InChI=1S/C25H27F3N4O3/c1-17-14-23(32-11-3-10-31(2)12-13-32)30-22-9-4-18(15-21(17)22)29-24(33)16-34-19-5-7-20(8-6-19)35-25(26,27)28/h4-9,14-15H,3,10-13,16H2,1-2H3,(H,29,33)
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| InChIKey |
XCJZSOSDRGLOMF-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