General Information of the Compound
| Compound ID |
CP0445215
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| Compound Name |
5-acetyl-N-pyridin-3-yl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
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| Structure |
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| Formula |
C17H14F3N3O2
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| Molecular Weight |
349.312
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| Canonical SMILES |
CC(=O)c1cc2CCN(C(=O)Nc3cccnc3)c2cc1C(F)(F)F
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| InChI |
InChI=1S/C17H14F3N3O2/c1-10(24)13-7-11-4-6-23(15(11)8-14(13)17(18,19)20)16(25)22-12-3-2-5-21-9-12/h2-3,5,7-9H,4,6H2,1H3,(H,22,25)
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| InChIKey |
ZMQRHULNLRDMDR-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: PT00939, 5-hydroxytryptamine receptor 2C