General Information of the Compound
| Compound ID |
CP0869995
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| Compound Name |
N-(2-(2-(isoindolin-2-ylmethyl)-5-methoxy-1H-indol-3-yl)ethyl)but-3-enamide
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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 |
C=CCC(=O)NCCc1c(CN2Cc3ccccc3C2)[nH]c2ccc(OC)cc12
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| InChI |
InChI=1S/C24H27N3O2/c1-3-6-24(28)25-12-11-20-21-13-19(29-2)9-10-22(21)26-23(20)16-27-14-17-7-4-5-8-18(17)15-27/h3-5,7-10,13,26H,1,6,11-12,14-16H2,2H3,(H,25,28)
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| InChIKey |
GPGHBLYLGKFICD-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