General Information of the Compound
| Compound ID |
CP0859463
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| Compound Name |
N-(2-(2-(isoindolin-2-ylmethyl)-5-methoxy-1H-indol-3-yl)ethyl)cyclopropanecarboxamide
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| Structure |
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| Formula |
C24H27N3O2
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| Molecular Weight |
389.499
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| Canonical SMILES |
COc1ccc2[nH]c(CN3Cc4ccccc4C3)c(CCNC(=O)C3CC3)c2c1
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| InChI |
InChI=1S/C24H27N3O2/c1-29-19-8-9-22-21(12-19)20(10-11-25-24(28)16-6-7-16)23(26-22)15-27-13-17-4-2-3-5-18(17)14-27/h2-5,8-9,12,16,26H,6-7,10-11,13-15H2,1H3,(H,25,28)
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| InChIKey |
VQEDKLKTWDUKLM-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