General Information of the Compound
| Compound ID |
CP0039861
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| Compound Name |
2-[3-(4-Fluoro-phenoxy)-propyl]-8-methoxy-5-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
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| Structure |
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| Formula |
C22H25FN2O2
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| Molecular Weight |
368.452
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| Canonical SMILES |
COc1ccc2n(C)c3CCN(CCCOc4ccc(F)cc4)Cc3c2c1
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| InChI |
InChI=1S/C22H25FN2O2/c1-24-21-9-8-18(26-2)14-19(21)20-15-25(12-10-22(20)24)11-3-13-27-17-6-4-16(23)5-7-17/h4-9,14H,3,10-13,15H2,1-2H3
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| InChIKey |
ZIYXMKSJNWAUDA-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