General Information of the Compound
| Compound ID |
CP0415362
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| Compound Name |
N-[1-[2-[3-(3-methylphenoxy)azetidin-1-yl]-1,3-benzoxazol-6-yl]ethyl]acetamide
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| Structure |
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| Formula |
C21H23N3O3
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| Molecular Weight |
365.433
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| Canonical SMILES |
CC(NC(C)=O)c1ccc2nc(oc2c1)N1CC(C1)Oc1cccc(C)c1
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| InChI |
InChI=1S/C21H23N3O3/c1-13-5-4-6-17(9-13)26-18-11-24(12-18)21-23-19-8-7-16(10-20(19)27-21)14(2)22-15(3)25/h4-10,14,18H,11-12H2,1-3H3,(H,22,25)
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| InChIKey |
WHZUKZRGOSZNFR-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
Protein ID: PT01270, Acetyl-CoA carboxylase 1
Protein ID: PT01119, Acetyl-CoA carboxylase 2