General Information of the Compound
| Compound ID |
CP0503251
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| Compound Name |
1-(8-Dipropylamino-4-fluoro-6,7,8,9-tetrahydro-3H-benzo[e]indol-1-yl)-propan-1-one
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| Structure |
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| Formula |
C21H29FN2O
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| Molecular Weight |
344.474
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| Canonical SMILES |
CCCN(CCC)C1CCc2cc(F)c3[nH]cc(C(=O)CC)c3c2C1
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| InChI |
InChI=1S/C21H29FN2O/c1-4-9-24(10-5-2)15-8-7-14-11-18(22)21-20(16(14)12-15)17(13-23-21)19(25)6-3/h11,13,15,23H,4-10,12H2,1-3H3
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| InChIKey |
UTKHSRGDDNRWQN-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: PT00827, 5-hydroxytryptamine receptor 1D
Protein ID: PT00957, D(2) dopamine receptor
Protein ID: PT01366, D(3) dopamine receptor