General Information of the Compound
| Compound ID |
CP0449625
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| Compound Name |
5-ethylsulfanyl-N-pyridin-3-yl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
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| Structure |
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| Formula |
C17H16F3N3OS
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| Molecular Weight |
367.396
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| Canonical SMILES |
CCSc1cc2CCN(C(=O)Nc3cccnc3)c2cc1C(F)(F)F
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| InChI |
InChI=1S/C17H16F3N3OS/c1-2-25-15-8-11-5-7-23(14(11)9-13(15)17(18,19)20)16(24)22-12-4-3-6-21-10-12/h3-4,6,8-10H,2,5,7H2,1H3,(H,22,24)
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| InChIKey |
SZMGAQKVODISQU-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