General Information of the Compound
| Compound ID |
CP0849192
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| Compound Name |
N-(2-(2-((1H-indol-1-yl)methyl)-5-methoxy-1H-indol-3-yl)ethyl)cyclobutanecarboxamide
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| Structure |
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| Formula |
C25H27N3O2
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| Molecular Weight |
401.51
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| Canonical SMILES |
COc1ccc2[nH]c(Cn3ccc4ccccc43)c(CCNC(=O)C3CCC3)c2c1
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| InChI |
InChI=1S/C25H27N3O2/c1-30-19-9-10-22-21(15-19)20(11-13-26-25(29)18-6-4-7-18)23(27-22)16-28-14-12-17-5-2-3-8-24(17)28/h2-3,5,8-10,12,14-15,18,27H,4,6-7,11,13,16H2,1H3,(H,26,29)
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| InChIKey |
CXDRPXJUUGRSQE-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