General Information of the Compound
| Compound ID |
CP0372536
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| Compound Name |
N-[2-(8-methoxy-2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-10-yl)ethyl]butanamide
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| Structure |
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| Formula |
C19H27N3O2
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| Molecular Weight |
329.444
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| Canonical SMILES |
CCCC(=O)NCCc1c2CN(C)CCn2c2ccc(OC)cc12
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| InChI |
InChI=1S/C19H27N3O2/c1-4-5-19(23)20-9-8-15-16-12-14(24-3)6-7-17(16)22-11-10-21(2)13-18(15)22/h6-7,12H,4-5,8-11,13H2,1-3H3,(H,20,23)
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| InChIKey |
FVPYDHLENFAFQH-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