General Information of the Compound
| Compound ID |
CP0353494
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| Compound Name |
2,8-Dimethyl-5-(2-p-tolylethyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
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| Structure |
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| Formula |
C22H26N2
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| Molecular Weight |
318.464
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| Canonical SMILES |
CN1CCc2c(C1)c1cc(C)ccc1n2CCc1ccc(C)cc1
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| InChI |
InChI=1S/C22H26N2/c1-16-4-7-18(8-5-16)10-13-24-21-9-6-17(2)14-19(21)20-15-23(3)12-11-22(20)24/h4-9,14H,10-13,15H2,1-3H3
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| InChIKey |
KRPHBUMURAALTO-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01650, Alpha-2A adrenergic receptor
Protein ID: PT01206, Histamine H1 receptor