General Information of the Compound
| Compound ID |
CP0448376
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| Compound Name |
5-methyl-N-[6-(pyrazin-2-ylmethoxy)pyridin-3-yl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
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| Structure |
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| Formula |
C21H18F3N5O2
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| Molecular Weight |
429.402
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| Canonical SMILES |
Cc1cc2CCN(C(=O)Nc3ccc(OCc4cnccn4)nc3)c2cc1C(F)(F)F
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| InChI |
InChI=1S/C21H18F3N5O2/c1-13-8-14-4-7-29(18(14)9-17(13)21(22,23)24)20(30)28-15-2-3-19(27-11-15)31-12-16-10-25-5-6-26-16/h2-3,5-6,8-11H,4,7,12H2,1H3,(H,28,30)
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| InChIKey |
VBVQALLSEUJYOK-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