General Information of the Compound
| Compound ID |
CP0522241
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| Compound Name |
8-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-ethyl]-4-phenyl-3,4-dihydro-1H-quinolin-2-one
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| Structure |
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| Formula |
C28H28N4OS
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| Molecular Weight |
468.626
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| Canonical SMILES |
O=C1CC(c2ccccc2)c2cccc(CCN3CCN(CC3)c3nsc4ccccc34)c2N1
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| InChI |
InChI=1S/C28H28N4OS/c33-26-19-24(20-7-2-1-3-8-20)22-11-6-9-21(27(22)29-26)13-14-31-15-17-32(18-16-31)28-23-10-4-5-12-25(23)34-30-28/h1-12,24H,13-19H2,(H,29,33)
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| InChIKey |
TWLLJXZOTXAUCG-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