General Information of the Compound
| Compound ID |
CP0572199
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| Compound Name |
N-[1-[4-[4-[4-(2-methoxyethyl)phenoxy]phenyl]phenyl]ethyl]acetamide
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| Structure |
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| Formula |
C25H27NO3
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| Molecular Weight |
389.495
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| Canonical SMILES |
COCCc1ccc(Oc2ccc(cc2)-c2ccc(cc2)C(C)NC(C)=O)cc1
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| InChI |
InChI=1S/C25H27NO3/c1-18(26-19(2)27)21-6-8-22(9-7-21)23-10-14-25(15-11-23)29-24-12-4-20(5-13-24)16-17-28-3/h4-15,18H,16-17H2,1-3H3,(H,26,27)
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| InChIKey |
NWGBBWJTHKXIFA-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