General Information of the Compound
| Compound ID |
CP0453809
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| Compound Name |
(1,1-Dioxo-1lambda*6*-thiomorpholin-4-yl)-[5-(1-isopropyl-piperidin-4-yloxy)-1-(2,2,2-trifluoro-ethyl)-1H-indol-2-yl]-methanone
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| Structure |
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| Formula |
C23H30F3N3O4S
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| Molecular Weight |
501.571
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| Canonical SMILES |
CC(C)N1CCC(CC1)Oc1ccc2n(CC(F)(F)F)c(cc2c1)C(=O)N1CCS(=O)(=O)CC1
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| InChI |
InChI=1S/C23H30F3N3O4S/c1-16(2)27-7-5-18(6-8-27)33-19-3-4-20-17(13-19)14-21(29(20)15-23(24,25)26)22(30)28-9-11-34(31,32)12-10-28/h3-4,13-14,16,18H,5-12,15H2,1-2H3
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| InChIKey |
LBUFUUDCYSRUFS-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: PT01194, Histamine H3 receptor
Protein ID: PT01173, Histamine H3 receptor