General Information of the Compound
| Compound ID |
CP0578632
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| Compound Name |
(4-ethylpiperazin-1-yl)-[6-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridin-3-yl]methanone
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| Structure |
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| Formula |
C21H20F3N5O2
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| Molecular Weight |
431.418
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| Canonical SMILES |
CCN1CCN(CC1)C(=O)c1ccc(nc1)-c1nc(no1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C21H20F3N5O2/c1-2-28-9-11-29(12-10-28)20(30)15-5-8-17(25-13-15)19-26-18(27-31-19)14-3-6-16(7-4-14)21(22,23)24/h3-8,13H,2,9-12H2,1H3
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| InChIKey |
CWFWSEMFXQCXRB-UHFFFAOYSA-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