General Information of the Compound
| Compound ID |
CP0403988
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| Compound Name |
2-[2-[3,5-bis(trifluoromethyl)phenyl]-1H-indol-3-yl]-N-ethyl-N-methylethanamine
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| Structure |
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| Formula |
C21H20F6N2
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| Molecular Weight |
414.393
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| Canonical SMILES |
CCN(C)CCc1c([nH]c2ccccc12)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C21H20F6N2/c1-3-29(2)9-8-17-16-6-4-5-7-18(16)28-19(17)13-10-14(20(22,23)24)12-15(11-13)21(25,26)27/h4-7,10-12,28H,3,8-9H2,1-2H3
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| InChIKey |
BKJQLMPFZFHIMJ-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
Protein ID: PT01005, D(2) dopamine receptor