General Information of the Compound
| Compound ID |
CP0259097
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| Compound Name |
[3-[5-[(dimethylamino)methyl]pyridin-2-yl]oxyazetidin-1-yl]-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone
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| Structure |
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| Formula |
C21H23N5O4
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| Molecular Weight |
409.446
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| Canonical SMILES |
COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN(C)C)cn1
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| InChI |
InChI=1S/C21H23N5O4/c1-25(2)11-14-4-9-18(22-10-14)29-17-12-26(13-17)21(27)20-24-23-19(30-20)15-5-7-16(28-3)8-6-15/h4-10,17H,11-13H2,1-3H3
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| InChIKey |
PIRXZWFDHICBJD-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