General Information of the Compound
| Compound ID |
CP0380233
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| Compound Name |
3-(4-fluorophenyl)-5-[1-(4-methyloxan-4-yl)-4,5,6,7-tetrahydrobenzotriazol-5-yl]-1,2,4-oxadiazole
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| Structure |
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| Formula |
C20H22FN5O2
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| Molecular Weight |
383.427
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| Canonical SMILES |
CC1(CCOCC1)n1nnc2CC(CCc12)c1nc(no1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C20H22FN5O2/c1-20(8-10-27-11-9-20)26-17-7-4-14(12-16(17)23-25-26)19-22-18(24-28-19)13-2-5-15(21)6-3-13/h2-3,5-6,14H,4,7-12H2,1H3
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| InChIKey |
GFLFKGVFLRGCNV-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