General Information of the Compound
| Compound ID |
CP0850795
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| Compound Name |
4-N-{1-[2-(Biphenyl-2-yloxy)ethyl]piperidin-4-yl}-isoquinolinesulfonamide
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| Structure |
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| Formula |
C28H29N3O3S
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| Molecular Weight |
487.625
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| Canonical SMILES |
O=S(=O)(NC1CCN(CCOc2ccccc2-c2ccccc2)CC1)c1cncc2ccccc12
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| InChI |
InChI=1S/C28H29N3O3S/c32-35(33,28-21-29-20-23-10-4-5-12-26(23)28)30-24-14-16-31(17-15-24)18-19-34-27-13-7-6-11-25(27)22-8-2-1-3-9-22/h1-13,20-21,24,30H,14-19H2
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| InChIKey |
WALZGTYVROBADZ-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: PT00941, 5-hydroxytryptamine receptor 7