General Information of the Compound
| Compound ID |
CP0436809
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| Compound Name |
N-[1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]piperidin-1-yl]-1,3-benzoxazol-6-yl]ethyl]acetamide
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| Structure |
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| Formula |
C26H31N3O4
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| Molecular Weight |
449.551
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| Canonical SMILES |
CC(NC(C)=O)c1ccc2nc(oc2c1)N1CCC(CC1)Oc1cccc(OCC2CC2)c1
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| InChI |
InChI=1S/C26H31N3O4/c1-17(27-18(2)30)20-8-9-24-25(14-20)33-26(28-24)29-12-10-21(11-13-29)32-23-5-3-4-22(15-23)31-16-19-6-7-19/h3-5,8-9,14-15,17,19,21H,6-7,10-13,16H2,1-2H3,(H,27,30)
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| InChIKey |
IJFVHUZIAKPQEC-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