General Information of the Compound
| Compound ID |
CP0547559
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| Compound Name |
cyclopropyl-[4-(6-methoxyquinazolin-4-yl)piperazin-1-yl]methanone
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| Formula |
C17H20N4O2
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| Molecular Weight |
312.373
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| Canonical SMILES |
COc1ccc2ncnc(N3CCN(CC3)C(=O)C3CC3)c2c1
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| InChI |
InChI=1S/C17H20N4O2/c1-23-13-4-5-15-14(10-13)16(19-11-18-15)20-6-8-21(9-7-20)17(22)12-2-3-12/h4-5,10-12H,2-3,6-9H2,1H3
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| InChIKey |
QOWFUOYORCSFGJ-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