General Information of the Compound
| Compound ID |
CP0575963
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| Compound Name |
(4-methylpiperazin-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 |
C20H18F3N5O2
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| Molecular Weight |
417.391
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| Canonical SMILES |
CN1CCN(CC1)C(=O)c1ccc(nc1)-c1nc(no1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C20H18F3N5O2/c1-27-8-10-28(11-9-27)19(29)14-4-7-16(24-12-14)18-25-17(26-30-18)13-2-5-15(6-3-13)20(21,22)23/h2-7,12H,8-11H2,1H3
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| InChIKey |
MLHDMDOLPFCFIS-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