General Information of the Compound
| Compound ID |
CP0874931
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| Compound Name |
N-[2-(8-Methoxy-2-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)ethyl]acetamide
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| Structure |
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| Formula |
C17H23N3O2
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| Molecular Weight |
301.39
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| Canonical SMILES |
COc1ccc2c(c1)c(CCNC(C)=O)c1n2CCN(C)C1
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| InChI |
InChI=1S/C17H23N3O2/c1-12(21)18-7-6-14-15-10-13(22-3)4-5-16(15)20-9-8-19(2)11-17(14)20/h4-5,10H,6-9,11H2,1-3H3,(H,18,21)
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| InChIKey |
WPFKALGKSIHEKN-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