General Information of the Compound
| Compound ID |
CP0921467
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| Compound Name |
N-[2-(2-Methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)ethyl]butanamide
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| Structure |
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| Formula |
C18H25N3O
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| Molecular Weight |
299.418
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| Canonical SMILES |
CCCC(=O)NCCc1c2n(c3ccccc13)CCN(C)C2
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| InChI |
InChI=1S/C18H25N3O/c1-3-6-18(22)19-10-9-15-14-7-4-5-8-16(14)21-12-11-20(2)13-17(15)21/h4-5,7-8H,3,6,9-13H2,1-2H3,(H,19,22)
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| InChIKey |
LIYWRBNVQUGPBF-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