General Information of the Compound
| Compound ID |
CP0414109
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| Compound Name |
N-[1-[2-[3-(3-butoxyphenoxy)azetidin-1-yl]-1,3-benzoxazol-6-yl]ethyl]acetamide
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| Structure |
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| Formula |
C24H29N3O4
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| Molecular Weight |
423.513
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| Canonical SMILES |
CCCCOc1cccc(OC2CN(C2)c2nc3ccc(cc3o2)C(C)NC(C)=O)c1
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| InChI |
InChI=1S/C24H29N3O4/c1-4-5-11-29-19-7-6-8-20(13-19)30-21-14-27(15-21)24-26-22-10-9-18(12-23(22)31-24)16(2)25-17(3)28/h6-10,12-13,16,21H,4-5,11,14-15H2,1-3H3,(H,25,28)
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| InChIKey |
YRZHAKYSYKYBAU-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