General Information of the Compound
| Compound ID |
CP0392776
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| Compound Name |
N-[[1-[(2,6-dimethylphenyl)methyl]-4-methoxyindol-2-yl]methyl]propanamide
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| Structure |
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| Formula |
C22H26N2O2
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| Molecular Weight |
350.462
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| Canonical SMILES |
CCC(=O)NCc1cc2c(OC)cccc2n1Cc1c(C)cccc1C
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| InChI |
InChI=1S/C22H26N2O2/c1-5-22(25)23-13-17-12-18-20(10-7-11-21(18)26-4)24(17)14-19-15(2)8-6-9-16(19)3/h6-12H,5,13-14H2,1-4H3,(H,23,25)
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| InChIKey |
FIVCOABUKRODFP-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