General Information of the Compound
| Compound ID |
CP0547558
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| Compound Name |
N-[2-[(6-methoxyquinazolin-4-yl)amino]ethyl]acetamide
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| Structure |
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| Formula |
C13H16N4O2
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| Molecular Weight |
260.297
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| Canonical SMILES |
COc1ccc2ncnc(NCCNC(C)=O)c2c1
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| InChI |
InChI=1S/C13H16N4O2/c1-9(18)14-5-6-15-13-11-7-10(19-2)3-4-12(11)16-8-17-13/h3-4,7-8H,5-6H2,1-2H3,(H,14,18)(H,15,16,17)
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| InChIKey |
DRUOMWOLEAJIBB-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