General Information of the Compound
| Compound ID |
CP0289420
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| Compound Name |
5-Ethyl-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 |
C22H26N2O
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| Molecular Weight |
334.463
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| Canonical SMILES |
CCn1c2CCN(CCCOc3ccccc3)Cc2c2ccccc12
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| InChI |
InChI=1S/C22H26N2O/c1-2-24-21-12-7-6-11-19(21)20-17-23(15-13-22(20)24)14-8-16-25-18-9-4-3-5-10-18/h3-7,9-12H,2,8,13-17H2,1H3
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| InChIKey |
SPGBOZVYWAFGMF-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