General Information of the Compound
| Compound ID |
CP0036394
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| Compound Name |
2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-8-methoxy-3-methylpyrido[3,4-d]pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C24H28N4O3
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| Molecular Weight |
420.513
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| Canonical SMILES |
COc1nccc2c1nc(-c1ccc(OC3CCN(CC3)C3CCC3)cc1)n(C)c2=O
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| InChI |
InChI=1S/C24H28N4O3/c1-27-22(26-21-20(24(27)29)10-13-25-23(21)30-2)16-6-8-18(9-7-16)31-19-11-14-28(15-12-19)17-4-3-5-17/h6-10,13,17,19H,3-5,11-12,14-15H2,1-2H3
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| InChIKey |
FJPDUNSHNPHJFS-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: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2