General Information of the Compound
| Compound ID |
CP0532785
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| Compound Name |
2-[6-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]hexyl]benzo[de]isoquinoline-1,3-dione
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| Structure |
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| Formula |
C29H30N4O2S
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| Molecular Weight |
498.652
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| Canonical SMILES |
O=C1N(CCCCCCN2CCN(CC2)c2nsc3ccccc23)C(=O)c2cccc3cccc1c23
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| InChI |
InChI=1S/C29H30N4O2S/c34-28-23-12-7-9-21-10-8-13-24(26(21)23)29(35)33(28)16-6-2-1-5-15-31-17-19-32(20-18-31)27-22-11-3-4-14-25(22)36-30-27/h3-4,7-14H,1-2,5-6,15-20H2
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| InChIKey |
JIKHUPCDDIJQPL-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