General Information of the Compound
| Compound ID |
CP0548271
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| Compound Name |
N-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]butanamide
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| Structure |
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| Formula |
C16H23N3O3
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| Molecular Weight |
305.378
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| Canonical SMILES |
CCCC(=O)NCCn1c(OCC)nc2ccc(OC)cc12
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| InChI |
InChI=1S/C16H23N3O3/c1-4-6-15(20)17-9-10-19-14-11-12(21-3)7-8-13(14)18-16(19)22-5-2/h7-8,11H,4-6,9-10H2,1-3H3,(H,17,20)
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| InChIKey |
OTYNCFBIMOPRBT-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