General Information of the Compound
| Compound ID |
CP0376689
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| Compound Name |
N-[3-[5-[[3-(2-cyclopropylethoxy)phenyl]methyl]-1,3-dioxan-2-yl]propyl]acetamide
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| Structure |
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| Formula |
C21H31NO4
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| Molecular Weight |
361.482
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| Canonical SMILES |
CC(=O)NCCCC1OCC(Cc2cccc(OCCC3CC3)c2)CO1
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| InChI |
InChI=1S/C21H31NO4/c1-16(23)22-10-3-6-21-25-14-19(15-26-21)12-18-4-2-5-20(13-18)24-11-9-17-7-8-17/h2,4-5,13,17,19,21H,3,6-12,14-15H2,1H3,(H,22,23)
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| InChIKey |
GHUVAPYJQXSCJI-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: PT04130, Acetyl-CoA carboxylase 1
Protein ID: PT01270, Acetyl-CoA carboxylase 1
Protein ID: PT01119, Acetyl-CoA carboxylase 2