General Information of the Compound
| Compound ID |
CP0467065
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| Compound Name |
pentyl 3-(2-acetamidoethyl)-5-methoxy-1H-indole-2-carboxylate
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| Structure |
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| Formula |
C19H26N2O4
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| Molecular Weight |
346.427
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| Canonical SMILES |
CCCCCOC(=O)c1[nH]c2ccc(OC)cc2c1CCNC(C)=O
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| InChI |
InChI=1S/C19H26N2O4/c1-4-5-6-11-25-19(23)18-15(9-10-20-13(2)22)16-12-14(24-3)7-8-17(16)21-18/h7-8,12,21H,4-6,9-11H2,1-3H3,(H,20,22)
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| InChIKey |
XRYIVQBJVKPLSD-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