General Information of the Compound
| Compound ID |
CP0500731
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| Compound Name |
(4-Fluoro-1-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-yl)-dipropyl-amine
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| Structure |
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| Formula |
C21H31FN2
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| Molecular Weight |
330.491
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| Canonical SMILES |
CCCN(CCC)C1CCc2cc(F)c3[nH]cc(CCC)c3c2C1
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| InChI |
InChI=1S/C21H31FN2/c1-4-7-16-14-23-21-19(22)12-15-8-9-17(13-18(15)20(16)21)24(10-5-2)11-6-3/h12,14,17,23H,4-11,13H2,1-3H3
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| InChIKey |
HCDLXJXEGJTMHB-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