General Information of the Compound
| Compound ID |
CP0453883
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| Compound Name |
[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(oxan-4-yl)methanone
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| Structure |
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| Formula |
C18H21N3O3
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| Molecular Weight |
327.384
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| Canonical SMILES |
Cc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)C1CCOCC1
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| InChI |
InChI=1S/C18H21N3O3/c1-12-3-2-4-14(9-12)16-19-17(24-20-16)15-10-21(11-15)18(22)13-5-7-23-8-6-13/h2-4,9,13,15H,5-8,10-11H2,1H3
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| InChIKey |
AZHZTMZPROULDD-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