General Information of the Compound
| Compound ID |
CP0216553
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| Compound Name |
N,N-dipropyl-1-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine
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| Structure |
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| Formula |
C20H27F3N2
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| Molecular Weight |
352.444
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| Canonical SMILES |
CCCN(CCC)C1CCc2ccc3[nH]cc(CC(F)(F)F)c3c2C1
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| InChI |
InChI=1S/C20H27F3N2/c1-3-9-25(10-4-2)16-7-5-14-6-8-18-19(17(14)11-16)15(13-24-18)12-20(21,22)23/h6,8,13,16,24H,3-5,7,9-12H2,1-2H3
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| InChIKey |
LKUMKJQSYINUSG-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: PT01448, 5-hydroxytryptamine receptor 1A
Protein ID: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D
Protein ID: PT00957, D(2) dopamine receptor
Protein ID: PT01366, D(3) dopamine receptor