General Information of the Compound
| Compound ID |
CP0393050
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| Compound Name |
8-Azepan-1-yl-6,7,8,9-tetrahydro-3H-benzo[e]indole
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| Structure |
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| Formula |
C18H24N2
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| Molecular Weight |
268.404
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| Canonical SMILES |
C1Cc2ccc3[nH]ccc3c2CC1N1CCCCCC1
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| InChI |
InChI=1S/C18H24N2/c1-2-4-12-20(11-3-1)15-7-5-14-6-8-18-16(9-10-19-18)17(14)13-15/h6,8-10,15,19H,1-5,7,11-13H2
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| InChIKey |
GQADRQLOQQESDY-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