General Information of the Compound
| Compound ID |
CP0046569
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| Compound Name |
5-Methylsulfanyl-6-trifluoromethyl-2,3-dihydro-indole-1-carboxylic acid pyridin-3-ylamide
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| Synonyms |
SB 221284
SB-221284
SB221284
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| Structure |
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| Formula |
C16H14F3N3OS
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| Molecular Weight |
353.369
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| Canonical SMILES |
CSc1cc2CCN(C(=O)Nc3cccnc3)c2cc1C(F)(F)F
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| InChI |
InChI=1S/C16H14F3N3OS/c1-24-14-7-10-4-6-22(13(10)8-12(14)16(17,18)19)15(23)21-11-3-2-5-20-9-11/h2-3,5,7-9H,4,6H2,1H3,(H,21,23)
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| InChIKey |
OQZOXHCRSXYSPM-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Clinical Information about the Compound