General Information of the Compound
| Compound ID |
CP0920290
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| Compound Name |
N-[2-(2-{[(Benzyl(methyl)amino]methyl}-5-methoxy-1H-indol-3-yl)ethyl]acetamide
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| Structure |
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| Formula |
C22H27N3O2
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| Molecular Weight |
365.477
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| Canonical SMILES |
COc1ccc2[nH]c(CN(C)Cc3ccccc3)c(CCNC(C)=O)c2c1
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| InChI |
InChI=1S/C22H27N3O2/c1-16(26)23-12-11-19-20-13-18(27-3)9-10-21(20)24-22(19)15-25(2)14-17-7-5-4-6-8-17/h4-10,13,24H,11-12,14-15H2,1-3H3,(H,23,26)
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| InChIKey |
RVFCYGCVMBOAEM-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