General Information of the Compound
| Compound ID |
CP0181152
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| Compound Name |
N-[1-[2-[5-[3-(cyclopropylmethoxy)phenoxy]pyridin-2-yl]-1,3-benzoxazol-6-yl]ethyl]acetamide
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| Structure |
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| Formula |
C26H25N3O4
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| Molecular Weight |
443.503
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| Canonical SMILES |
CC(NC(C)=O)c1ccc2nc(oc2c1)-c1ccc(Oc2cccc(OCC3CC3)c2)cn1
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| InChI |
InChI=1S/C26H25N3O4/c1-16(28-17(2)30)19-8-10-23-25(12-19)33-26(29-23)24-11-9-22(14-27-24)32-21-5-3-4-20(13-21)31-15-18-6-7-18/h3-5,8-14,16,18H,6-7,15H2,1-2H3,(H,28,30)
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| InChIKey |
IUXDAQZCLLCHAM-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