General Information of the Compound
| Compound ID |
CP0494659
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| Compound Name |
(E)-N-[2-(4-Ethyl-piperazin-1-ylmethyl)-4-methyl-quinolin-6-yl]-N-methyl-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 |
CN(C)CCN(C)c1cc(C)c2cc(ccc2n1)N(C)C(=O)\C=C\c1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C26H29F3N4O2/c1-18-16-24(32(4)15-14-31(2)3)30-23-12-9-20(17-22(18)23)33(5)25(34)13-8-19-6-10-21(11-7-19)35-26(27,28)29/h6-13,16-17H,14-15H2,1-5H3/b13-8+
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| InChIKey |
ZJDFOGITUVKHHR-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