General Information of the Compound
| Compound ID |
CP0524920
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| Compound Name |
5-[3,5-bis(trifluoromethyl)phenyl]-3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-oxadiazole
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| Structure |
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| Formula |
C20H15F6N3O2
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| Molecular Weight |
443.347
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| Canonical SMILES |
COc1ccc2CN(CCc2c1)c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C20H15F6N3O2/c1-30-16-3-2-12-10-29(5-4-11(12)8-16)18-27-17(31-28-18)13-6-14(19(21,22)23)9-15(7-13)20(24,25)26/h2-3,6-9H,4-5,10H2,1H3
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| InChIKey |
JVBFQLRIUDJMFW-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