General Information of the Compound
| Compound ID |
CP0499664
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| Compound Name |
6-Fluoro-4-methyl-8-{2-[4-(1-oxo-1H-1lambda*4*-benzo[d]isothiazol-3-yl)-piperazin-1-yl]-ethyl}-3,4-dihydro-1H-quinolin-2-one
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| Structure |
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| Formula |
C23H25FN4O2S
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| Molecular Weight |
440.544
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| Canonical SMILES |
CC1CC(=O)Nc2c(CCN3CCN(CC3)c3ns(=O)c4ccccc34)cc(F)cc12
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| InChI |
InChI=1S/C23H25FN4O2S/c1-15-12-21(29)25-22-16(13-17(24)14-19(15)22)6-7-27-8-10-28(11-9-27)23-18-4-2-3-5-20(18)31(30)26-23/h2-5,13-15H,6-12H2,1H3,(H,25,29)
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| InChIKey |
JRHZMBFEPWEZFP-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