General Information of the Compound
| Compound ID |
CP0459763
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| Compound Name |
N-[2-(5-methoxy-2-phenyl-1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]acetamide
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| Structure |
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| Formula |
C18H19N3O2
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| Molecular Weight |
309.369
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| Canonical SMILES |
COc1ccc2[nH]c(c(CCNC(C)=O)c2n1)-c1ccccc1
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| InChI |
InChI=1S/C18H19N3O2/c1-12(22)19-11-10-14-17(13-6-4-3-5-7-13)20-15-8-9-16(23-2)21-18(14)15/h3-9,20H,10-11H2,1-2H3,(H,19,22)
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| InChIKey |
ALALJKSOACBDAH-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