General Information of the Compound
| Compound ID |
CP0123442
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| Compound Name |
N-[1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-benzoxazol-6-yl]ethyl]acetamide
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| Structure |
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| Formula |
C27H26N2O4
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| Molecular Weight |
442.515
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| Canonical SMILES |
CC(NC(C)=O)c1ccc2nc(oc2c1)-c1ccc(Oc2cccc(OCC3CC3)c2)cc1
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| InChI |
InChI=1S/C27H26N2O4/c1-17(28-18(2)30)21-10-13-25-26(14-21)33-27(29-25)20-8-11-22(12-9-20)32-24-5-3-4-23(15-24)31-16-19-6-7-19/h3-5,8-15,17,19H,6-7,16H2,1-2H3,(H,28,30)
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| InChIKey |
ARKNVQYKLMKUFB-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