General Information of the Compound
| Compound ID |
CP0178770
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| Compound Name |
N-[2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4-methylquinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide
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| Structure |
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| Formula |
C26H31F3N4O3
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| Molecular Weight |
504.553
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| Canonical SMILES |
CN(C)CC(C)(C)CNc1cc(C)c2cc(NC(=O)COc3ccc(OC(F)(F)F)cc3)ccc2n1
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| InChI |
InChI=1S/C26H31F3N4O3/c1-17-12-23(30-15-25(2,3)16-33(4)5)32-22-11-6-18(13-21(17)22)31-24(34)14-35-19-7-9-20(10-8-19)36-26(27,28)29/h6-13H,14-16H2,1-5H3,(H,30,32)(H,31,34)
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| InChIKey |
YCMLUYXNNCQCLL-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