General Information of the Compound
| Compound ID |
CP0458917
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| Compound Name |
5-[3,5-bis(trifluoromethyl)phenyl]-3-(1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1,2,4-oxadiazole
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| Structure |
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| Formula |
C16H11F6N5O
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| Molecular Weight |
403.286
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| Canonical SMILES |
FC(F)(F)c1cc(cc(c1)C(F)(F)F)-c1nc(no1)N1CCc2[nH]ncc2C1
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| InChI |
InChI=1S/C16H11F6N5O/c17-15(18,19)10-3-8(4-11(5-10)16(20,21)22)13-24-14(26-28-13)27-2-1-12-9(7-27)6-23-25-12/h3-6H,1-2,7H2,(H,23,25)
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| InChIKey |
FGMRXSXVXNSIOT-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