General Information of the Compound
| Compound ID |
CP0114447
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| Compound Name |
5-Benzyl-2-(3-phenoxy-propyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
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| Structure |
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| Formula |
C27H28N2O
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| Molecular Weight |
396.534
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| Canonical SMILES |
C(COc1ccccc1)CN1CCc2c(C1)c1ccccc1n2Cc1ccccc1
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| InChI |
InChI=1S/C27H28N2O/c1-3-10-22(11-4-1)20-29-26-15-8-7-14-24(26)25-21-28(18-16-27(25)29)17-9-19-30-23-12-5-2-6-13-23/h1-8,10-15H,9,16-21H2
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| InChIKey |
YOTAKMDVJZTBPZ-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: PT01492, 5-hydroxytryptamine receptor 2A
Protein ID: PT01480, 5-hydroxytryptamine receptor 2C