General Information of the Compound
| Compound ID |
CP0534331
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| Compound Name |
1-methyl-N-[8-[2-(3-propan-2-ylphenoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrazole-4-sulfonamide
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| Structure |
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| Formula |
C22H32N4O3S
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| Molecular Weight |
432.59
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| Canonical SMILES |
CC(C)c1cccc(OCCN2C3CCC2CC(C3)NS(=O)(=O)c2cnn(C)c2)c1
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| InChI |
InChI=1S/C22H32N4O3S/c1-16(2)17-5-4-6-21(11-17)29-10-9-26-19-7-8-20(26)13-18(12-19)24-30(27,28)22-14-23-25(3)15-22/h4-6,11,14-16,18-20,24H,7-10,12-13H2,1-3H3
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| InChIKey |
XEDXTUWUEDMFNK-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