General Information of the Compound
| Compound ID |
CP0431240
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| Compound Name |
N-[2-[3-[4-[3-[2-acetamidoethyl(methyl)amino]phenoxy]butoxy]-N-methylanilino]ethyl]acetamide
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| Structure |
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| Formula |
C26H38N4O4
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| Molecular Weight |
470.614
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| Canonical SMILES |
CN(CCNC(C)=O)c1cccc(OCCCCOc2cccc(c2)N(C)CCNC(C)=O)c1
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| InChI |
InChI=1S/C26H38N4O4/c1-21(31)27-13-15-29(3)23-9-7-11-25(19-23)33-17-5-6-18-34-26-12-8-10-24(20-26)30(4)16-14-28-22(2)32/h7-12,19-20H,5-6,13-18H2,1-4H3,(H,27,31)(H,28,32)
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| InChIKey |
CMUDCZPLZLQTPX-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