General Information of the Compound
| Compound ID |
CP0954040
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| Compound Name |
4-N-(1-{2-[(Propan-2-yl)phenoxy]ethyl}piperidin-4-yl)-isoquinoline sulfonamide
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| Structure |
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| Formula |
C25H31N3O3S
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| Molecular Weight |
453.608
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| Canonical SMILES |
CC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2cncc3ccccc23)CC1
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| InChI |
InChI=1S/C25H31N3O3S/c1-19(2)22-8-5-6-10-24(22)31-16-15-28-13-11-21(12-14-28)27-32(29,30)25-18-26-17-20-7-3-4-9-23(20)25/h3-10,17-19,21,27H,11-16H2,1-2H3
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| InChIKey |
KXVBUWHQNVNMBC-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