General Information of the Compound
| Compound ID |
CP0514684
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| Compound Name |
N-[2-(6-methoxy-2-phenylquinazolin-4-yl)ethyl]acetamide
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| Formula |
C19H19N3O2
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| Molecular Weight |
321.38
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| Canonical SMILES |
COc1ccc2nc(nc(CCNC(C)=O)c2c1)-c1ccccc1
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| InChI |
InChI=1S/C19H19N3O2/c1-13(23)20-11-10-18-16-12-15(24-2)8-9-17(16)21-19(22-18)14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H,20,23)
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| InChIKey |
BLVHQCHVWVWJQJ-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