General Information of the Compound
| Compound ID |
CP0447118
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| Compound Name |
4-amino-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
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| Structure |
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| Formula |
C25H29N3O3S
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| Molecular Weight |
451.592
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| Canonical SMILES |
Nc1ccc(cc1)S(=O)(=O)NC1CCN(CCOc2ccccc2-c2ccccc2)CC1
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| InChI |
InChI=1S/C25H29N3O3S/c26-21-10-12-23(13-11-21)32(29,30)27-22-14-16-28(17-15-22)18-19-31-25-9-5-4-8-24(25)20-6-2-1-3-7-20/h1-13,22,27H,14-19,26H2
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| InChIKey |
CRTKVWSVBKHSCH-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