General Information of the Compound
| Compound ID |
CP0526778
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| Compound Name |
N-[6-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]hexyl]naphthalene-2-sulfonamide
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| Structure |
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| Formula |
C27H32N4O2S2
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| Molecular Weight |
508.713
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| Canonical SMILES |
O=S(=O)(NCCCCCCN1CCN(CC1)c1nsc2ccccc12)c1ccc2ccccc2c1
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| InChI |
InChI=1S/C27H32N4O2S2/c32-35(33,24-14-13-22-9-3-4-10-23(22)21-24)28-15-7-1-2-8-16-30-17-19-31(20-18-30)27-25-11-5-6-12-26(25)34-29-27/h3-6,9-14,21,28H,1-2,7-8,15-20H2
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| InChIKey |
URZRGOOTISGVOW-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