General Information of the Compound
| Compound ID |
CP0456871
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| Compound Name |
3-(4-fluorophenyl)-5-(1-propan-2-yl-4,5,6,7-tetrahydrobenzotriazol-5-yl)-1,2,4-oxadiazole
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| Structure |
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| Formula |
C17H18FN5O
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| Molecular Weight |
327.363
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| Canonical SMILES |
CC(C)n1nnc2CC(CCc12)c1nc(no1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C17H18FN5O/c1-10(2)23-15-8-5-12(9-14(15)20-22-23)17-19-16(21-24-17)11-3-6-13(18)7-4-11/h3-4,6-7,10,12H,5,8-9H2,1-2H3
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| InChIKey |
IOORCVYXLWGYOB-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