General Information of the Compound
| Compound ID |
CP0448143
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| Compound Name |
8-Propylamino-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde
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| Structure |
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| Formula |
C16H20N2O
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| Molecular Weight |
256.349
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| Canonical SMILES |
CCCNC1CCc2ccc3[nH]cc(C=O)c3c2C1
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| InChI |
InChI=1S/C16H20N2O/c1-2-7-17-13-5-3-11-4-6-15-16(14(11)8-13)12(10-19)9-18-15/h4,6,9-10,13,17-18H,2-3,5,7-8H2,1H3
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| InChIKey |
HUISJGMFDCMBAG-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