General Information of the Compound
| Compound ID |
CP0426098
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| Compound Name |
N-[2-[3-[3-[3-[2-acetamidoethyl(methyl)amino]phenoxy]propoxy]-N-methylanilino]ethyl]acetamide
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| Structure |
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| Formula |
C25H36N4O4
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| Molecular Weight |
456.587
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| Canonical SMILES |
CN(CCNC(C)=O)c1cccc(OCCCOc2cccc(c2)N(C)CCNC(C)=O)c1
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| InChI |
InChI=1S/C25H36N4O4/c1-20(30)26-12-14-28(3)22-8-5-10-24(18-22)32-16-7-17-33-25-11-6-9-23(19-25)29(4)15-13-27-21(2)31/h5-6,8-11,18-19H,7,12-17H2,1-4H3,(H,26,30)(H,27,31)
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| InChIKey |
WIULYJJPCALTGC-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