General Information of the Compound
| Compound ID |
CP0395318
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| Compound Name |
2-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydrobenzotriazol-1-yl]-2-methylpropanenitrile
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| Structure |
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| Formula |
C18H17FN6O
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| Molecular Weight |
352.373
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| Canonical SMILES |
CC(C)(C#N)n1nnc2CC(CCc12)c1nc(no1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C18H17FN6O/c1-18(2,10-20)25-15-8-5-12(9-14(15)22-24-25)17-21-16(23-26-17)11-3-6-13(19)7-4-11/h3-4,6-7,12H,5,8-9H2,1-2H3
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| InChIKey |
GXCVAGOKZOYKBO-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