General Information of the Compound
| Compound ID |
CP0526779
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| Compound Name |
6-[6-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]hexoxy]-3,4-dihydro-1H-quinolin-2-one
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| Structure |
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| Formula |
C26H32N4O2S
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| Molecular Weight |
464.635
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| Canonical SMILES |
O=C1CCc2cc(OCCCCCCN3CCN(CC3)c3nsc4ccccc34)ccc2N1
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| InChI |
InChI=1S/C26H32N4O2S/c31-25-12-9-20-19-21(10-11-23(20)27-25)32-18-6-2-1-5-13-29-14-16-30(17-15-29)26-22-7-3-4-8-24(22)33-28-26/h3-4,7-8,10-11,19H,1-2,5-6,9,12-18H2,(H,27,31)
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| InChIKey |
JNMNZCISRVSLEC-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor