General Information of the Compound
| Compound ID |
CP0034944
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| Compound Name |
(E)-N-{2-[(2-Dimethylamino-ethyl)-methyl-amino]-4-methyl-quinolin-6-yl}-3-(4-trifluoromethoxy-phenyl)-acrylamide
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| Structure |
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| Formula |
C25H27F3N4O2
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| Molecular Weight |
472.511
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| Canonical SMILES |
CN(C)CCN(C)c1cc(C)c2cc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)ccc2n1
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| InChI |
InChI=1S/C25H27F3N4O2/c1-17-15-23(32(4)14-13-31(2)3)30-22-11-8-19(16-21(17)22)29-24(33)12-7-18-5-9-20(10-6-18)34-25(26,27)28/h5-12,15-16H,13-14H2,1-4H3,(H,29,33)/b12-7+
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| InChIKey |
RVSLLQIPFFIMSB-KPKJPENVSA-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
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT01027, Melanin-concentrating hormone receptor 1