General Information of the Compound
| Compound ID |
CP0509166
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| Compound Name |
N-propyl-N-(2-thiophen-2-ylethyl)-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine
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| Structure |
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| Formula |
C21H26N2S
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| Molecular Weight |
338.52
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| Canonical SMILES |
CCCN(CCc1cccs1)C1CCc2ccc3[nH]ccc3c2C1
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| InChI |
InChI=1S/C21H26N2S/c1-2-12-23(13-10-18-4-3-14-24-18)17-7-5-16-6-8-21-19(9-11-22-21)20(16)15-17/h3-4,6,8-9,11,14,17,22H,2,5,7,10,12-13,15H2,1H3
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| InChIKey |
OLGRDJBZDHQHOJ-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