General Information of the Compound
| Compound ID |
CP0303039
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| Compound Name |
N-[2-[2-[di(propan-2-yl)amino]ethylamino]-4-methylquinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide
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| Structure |
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| Formula |
C27H33F3N4O3
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| Molecular Weight |
518.58
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| Canonical SMILES |
CC(C)N(CCNc1cc(C)c2cc(NC(=O)COc3ccc(OC(F)(F)F)cc3)ccc2n1)C(C)C
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| InChI |
InChI=1S/C27H33F3N4O3/c1-17(2)34(18(3)4)13-12-31-25-14-19(5)23-15-20(6-11-24(23)33-25)32-26(35)16-36-21-7-9-22(10-8-21)37-27(28,29)30/h6-11,14-15,17-18H,12-13,16H2,1-5H3,(H,31,33)(H,32,35)
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| InChIKey |
BRLMAJCPKWNHCO-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