General Information of the Compound
| Compound ID |
CP0199724
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| Compound Name |
5-methylsulfanyl-N-(3-pyridin-3-ylphenyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
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| Structure |
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| Formula |
C22H18F3N3OS
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| Molecular Weight |
429.467
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| Canonical SMILES |
CSc1cc2CCN(C(=O)Nc3cccc(c3)-c3cccnc3)c2cc1C(F)(F)F
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| InChI |
InChI=1S/C22H18F3N3OS/c1-30-20-11-15-7-9-28(19(15)12-18(20)22(23,24)25)21(29)27-17-6-2-4-14(10-17)16-5-3-8-26-13-16/h2-6,8,10-13H,7,9H2,1H3,(H,27,29)
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| InChIKey |
SCUPRUBSMMOZTH-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