General Information of the Compound
| Compound ID |
CP0471101
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| Compound Name |
N-[1-[2-[3-(3-pentylphenoxy)azetidin-1-yl]-1,3-benzoxazol-6-yl]ethyl]acetamide
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| Structure |
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| Formula |
C25H31N3O3
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| Molecular Weight |
421.541
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| Canonical SMILES |
CCCCCc1cccc(OC2CN(C2)c2nc3ccc(cc3o2)C(C)NC(C)=O)c1
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| InChI |
InChI=1S/C25H31N3O3/c1-4-5-6-8-19-9-7-10-21(13-19)30-22-15-28(16-22)25-27-23-12-11-20(14-24(23)31-25)17(2)26-18(3)29/h7,9-14,17,22H,4-6,8,15-16H2,1-3H3,(H,26,29)
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| InChIKey |
HIDSUWDCKXDXGS-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