General Information of the Compound
| Compound ID |
CP0411002
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| Compound Name |
N-[2-[3-[6-(3-hydroxyphenoxy)hexoxy]-N-methylanilino]ethyl]acetamide
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| Structure |
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| Formula |
C23H32N2O4
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| Molecular Weight |
400.519
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| Canonical SMILES |
CN(CCNC(C)=O)c1cccc(OCCCCCCOc2cccc(O)c2)c1
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| InChI |
InChI=1S/C23H32N2O4/c1-19(26)24-13-14-25(2)20-9-7-11-22(17-20)28-15-5-3-4-6-16-29-23-12-8-10-21(27)18-23/h7-12,17-18,27H,3-6,13-16H2,1-2H3,(H,24,26)
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| InChIKey |
PFIPXQGROSPOOK-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: PT01843, Melatonin receptor type 1A
Protein ID: PT02174, Melatonin receptor type 1B