General Information of the Compound
| Compound ID |
CP0436806
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| Compound Name |
[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-cyclobutylmethanone
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| Structure |
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| Formula |
C16H16ClN3O2
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| Molecular Weight |
317.776
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| Canonical SMILES |
Clc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)C1CCC1
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| InChI |
InChI=1S/C16H16ClN3O2/c17-13-6-2-5-11(7-13)14-18-15(22-19-14)12-8-20(9-12)16(21)10-3-1-4-10/h2,5-7,10,12H,1,3-4,8-9H2
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| InChIKey |
DIQJAGFOKWRTRP-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