General Information of the Compound
| Compound ID |
CP0150364
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| Compound Name |
2,8-Dimethyl-5-((Z)-styryl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
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| Structure |
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| Formula |
C21H22N2
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| Molecular Weight |
302.421
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| Canonical SMILES |
CN1CCc2c(C1)c1cc(C)ccc1n2\C=C/c1ccccc1
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| InChI |
InChI=1S/C21H22N2/c1-16-8-9-20-18(14-16)19-15-22(2)12-11-21(19)23(20)13-10-17-6-4-3-5-7-17/h3-10,13-14H,11-12,15H2,1-2H3/b13-10-
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| InChIKey |
XQDRWCFJBHLWPR-RAXLEYEMSA-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: PT01005, D(2) dopamine receptor
Protein ID: PT01206, Histamine H1 receptor