General Information of the Compound
| Compound ID |
CP0378078
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| Compound Name |
(E)-N-[2-(4-Ethyl-piperazin-1-ylmethyl)-quinolin-6-yl]-3-(4-trifluoromethoxy-phenyl)-acrylamide
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| Structure |
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| Formula |
C25H25F3N4O2
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| Molecular Weight |
470.495
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| Canonical SMILES |
CCN1CCN(CC1)c1ccc2cc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)ccc2n1
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| InChI |
InChI=1S/C25H25F3N4O2/c1-2-31-13-15-32(16-14-31)23-11-6-19-17-20(7-10-22(19)30-23)29-24(33)12-5-18-3-8-21(9-4-18)34-25(26,27)28/h3-12,17H,2,13-16H2,1H3,(H,29,33)/b12-5+
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| InChIKey |
VJZDFHCEKLRILF-LFYBBSHMSA-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