General Information of the Compound
| Compound ID |
CP0462610
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| Compound Name |
N-[[1-(5-hydroxy-1-methylindol-3-yl)cyclobutyl]methyl]butanamide
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| Structure |
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| Formula |
C18H24N2O2
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| Molecular Weight |
300.402
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| Canonical SMILES |
CCCC(=O)NCC1(CCC1)c1cn(C)c2ccc(O)cc12
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| InChI |
InChI=1S/C18H24N2O2/c1-3-5-17(22)19-12-18(8-4-9-18)15-11-20(2)16-7-6-13(21)10-14(15)16/h6-7,10-11,21H,3-5,8-9,12H2,1-2H3,(H,19,22)
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| InChIKey |
RKXLRISGOPUHPP-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