General Information of the Compound
| Compound ID |
CP0508152
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| Compound Name |
(E)-N-[2-((3S,5R)-3,5-Dimethyl-piperazin-1-yl)-4-methyl-quinolin-6-yl]-3-(4-trifluoromethoxy-phenyl)-acrylamide
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| Structure |
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| Formula |
C26H27F3N4O2
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| Molecular Weight |
484.522
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| Canonical SMILES |
C[C@H]1CN(C[C@@H](C)N1)c1cc(C)c2cc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)ccc2n1
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| InChI |
InChI=1S/C26H27F3N4O2/c1-16-12-24(33-14-17(2)30-18(3)15-33)32-23-10-7-20(13-22(16)23)31-25(34)11-6-19-4-8-21(9-5-19)35-26(27,28)29/h4-13,17-18,30H,14-15H2,1-3H3,(H,31,34)/b11-6+/t17-,18+
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| InChIKey |
DVNOJAJYFIOGBD-SEKNRTTHSA-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