General Information of the Compound
| Compound ID |
CP0489674
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| Compound Name |
N-methyl-2-[1-[1-[(4-methylnaphthalen-1-yl)methyl]piperidin-4-yl]-2-oxo-4H-quinazolin-3-yl]acetamide
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| Structure |
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| Formula |
C28H32N4O2
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| Molecular Weight |
456.59
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| Canonical SMILES |
CNC(=O)CN1Cc2ccccc2N(C2CCN(Cc3ccc(C)c4ccccc34)CC2)C1=O
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| InChI |
InChI=1S/C28H32N4O2/c1-20-11-12-21(25-9-5-4-8-24(20)25)17-30-15-13-23(14-16-30)32-26-10-6-3-7-22(26)18-31(28(32)34)19-27(33)29-2/h3-12,23H,13-19H2,1-2H3,(H,29,33)
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| InChIKey |
XAFOABBARHIQGF-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: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor