General Information of the Compound
| Compound ID |
CP0446647
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| Compound Name |
8-[2-(4-Benzo[d]isoxazol-3-yl-piperazin-1-yl)-ethyl]-4-methyl-3,4-dihydro-1H-quinolin-2-one
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| Structure |
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| Formula |
C23H26N4O2
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| Molecular Weight |
390.487
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| Canonical SMILES |
CC1CC(=O)Nc2c(CCN3CCN(CC3)c3noc4ccccc34)cccc12
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| InChI |
InChI=1S/C23H26N4O2/c1-16-15-21(28)24-22-17(5-4-7-18(16)22)9-10-26-11-13-27(14-12-26)23-19-6-2-3-8-20(19)29-25-23/h2-8,16H,9-15H2,1H3,(H,24,28)
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| InChIKey |
OFVHGFCSGSQSLH-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01005, D(2) dopamine receptor