General Information of the Compound
| Compound ID |
CP0484353
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| Compound Name |
N-[2-(5-methoxy-1-methyl-7-phenylindol-3-yl)ethyl]butanamide
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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 |
CCCC(=O)NCCc1cn(C)c2c(cc(OC)cc12)-c1ccccc1
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| InChI |
InChI=1S/C22H26N2O2/c1-4-8-21(25)23-12-11-17-15-24(2)22-19(16-9-6-5-7-10-16)13-18(26-3)14-20(17)22/h5-7,9-10,13-15H,4,8,11-12H2,1-3H3,(H,23,25)
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| InChIKey |
XTRBNMRMPVWTCO-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