General Information of the Compound
| Compound ID |
CP0530508
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| Compound Name |
3-(3-ethylimidazol-4-yl)-5-(trifluoromethyl)-1H-indole
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| Structure |
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| Formula |
C14H12F3N3
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| Molecular Weight |
279.265
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| Canonical SMILES |
CCn1cncc1-c1c[nH]c2ccc(cc12)C(F)(F)F
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| InChI |
InChI=1S/C14H12F3N3/c1-2-20-8-18-7-13(20)11-6-19-12-4-3-9(5-10(11)12)14(15,16)17/h3-8,19H,2H2,1H3
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| InChIKey |
OXYHUBVDQBPAQE-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor