General Information of the Compound
| Compound ID |
CP0446447
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| Compound Name |
(E)-N-(2-{[(2-Dimethylamino-ethyl)-methyl-amino]-methyl}-4-ethyl-quinolin-6-yl)-3-(4-trifluoromethoxy-phenyl)-acrylamide
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| Structure |
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| Formula |
C26H29F3N4O2
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| Molecular Weight |
486.538
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| Canonical SMILES |
CCc1cc(nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12)N(C)CCN(C)C
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| InChI |
InChI=1S/C26H29F3N4O2/c1-5-19-16-24(33(4)15-14-32(2)3)31-23-12-9-20(17-22(19)23)30-25(34)13-8-18-6-10-21(11-7-18)35-26(27,28)29/h6-13,16-17H,5,14-15H2,1-4H3,(H,30,34)/b13-8+
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| InChIKey |
KNUAZEUBQILIGP-MDWZMJQESA-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