General Information of the Compound
| Compound ID |
CP0486997
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| Compound Name |
2,5-difluoro-N-[1-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]pyrrolidin-3-yl]benzenesulfonamide
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| Structure |
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| Formula |
C22H26F2N2O3S
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| Molecular Weight |
436.524
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| Canonical SMILES |
Fc1ccc(F)c(c1)S(=O)(=O)NC1CCN(CCOc2cccc3CCCCc23)C1
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| InChI |
InChI=1S/C22H26F2N2O3S/c23-17-8-9-20(24)22(14-17)30(27,28)25-18-10-11-26(15-18)12-13-29-21-7-3-5-16-4-1-2-6-19(16)21/h3,5,7-9,14,18,25H,1-2,4,6,10-13,15H2
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| InChIKey |
QHVDRXNWAMTCNP-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: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor