General Information of the Compound
| Compound ID |
CP0061220
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| Compound Name |
2-(3-Phenoxy-propyl)-2,3,4,9-tetrahydro-1H-beta-carboline
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| Structure |
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| Formula |
C20H22N2O
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| Molecular Weight |
306.409
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| Canonical SMILES |
C(COc1ccccc1)CN1CCc2c(C1)[nH]c1ccccc21
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| InChI |
InChI=1S/C20H22N2O/c1-2-7-16(8-3-1)23-14-6-12-22-13-11-18-17-9-4-5-10-19(17)21-20(18)15-22/h1-5,7-10,21H,6,11-15H2
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| InChIKey |
KFEQSXYFANTPFC-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