General Information of the Compound
| Compound ID |
CP0151079
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| Compound Name |
N-(4-tert-butyl-3-pyridin-3-ylphenyl)-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
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| Structure |
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| Formula |
C26H26F3N3O2
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| Molecular Weight |
469.507
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| Canonical SMILES |
COc1cc2CCN(C(=O)Nc3ccc(c(c3)-c3cccnc3)C(C)(C)C)c2cc1C(F)(F)F
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| InChI |
InChI=1S/C26H26F3N3O2/c1-25(2,3)20-8-7-18(13-19(20)17-6-5-10-30-15-17)31-24(33)32-11-9-16-12-23(34-4)21(14-22(16)32)26(27,28)29/h5-8,10,12-15H,9,11H2,1-4H3,(H,31,33)
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| InChIKey |
NDJFLWVVLZIUKK-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