General Information of the Compound
| Compound ID |
CP0444870
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| Compound Name |
N-[2-(5-methoxy-7-phenyl-1H-indol-3-yl)ethyl]butanamide
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| Structure |
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| Formula |
C21H24N2O2
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| Molecular Weight |
336.435
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| Canonical SMILES |
CCCC(=O)NCCc1c[nH]c2c(cc(OC)cc12)-c1ccccc1
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| InChI |
InChI=1S/C21H24N2O2/c1-3-7-20(24)22-11-10-16-14-23-21-18(15-8-5-4-6-9-15)12-17(25-2)13-19(16)21/h4-6,8-9,12-14,23H,3,7,10-11H2,1-2H3,(H,22,24)
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| InChIKey |
FSHZXXWZGMKZSU-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