General Information of the Compound
| Compound ID |
CP0521739
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| Compound Name |
(E)-N-(2-{[(2-Dimethylamino-ethyl)-methyl-amino]-methyl}-quinolin-6-yl)-3-(4-trifluoromethoxy-phenyl)-acrylamide
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| Structure |
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| Formula |
C24H25F3N4O2
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| Molecular Weight |
458.484
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| Canonical SMILES |
CN(C)CCN(C)c1ccc2cc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)ccc2n1
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| InChI |
InChI=1S/C24H25F3N4O2/c1-30(2)14-15-31(3)22-12-7-18-16-19(8-11-21(18)29-22)28-23(32)13-6-17-4-9-20(10-5-17)33-24(25,26)27/h4-13,16H,14-15H2,1-3H3,(H,28,32)/b13-6+
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| InChIKey |
ZEWDAMHLQDFCAZ-AWNIVKPZSA-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