General Information of the Compound
| Compound ID |
CP0213412
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| Compound Name |
8-Chloro-2-[3-(4-fluoro-phenoxy)-propyl]-5-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
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| Structure |
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| Formula |
C21H22ClFN2O
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| Molecular Weight |
372.871
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| Canonical SMILES |
Cn1c2CCN(CCCOc3ccc(F)cc3)Cc2c2cc(Cl)ccc12
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| InChI |
InChI=1S/C21H22ClFN2O/c1-24-20-8-3-15(22)13-18(20)19-14-25(11-9-21(19)24)10-2-12-26-17-6-4-16(23)5-7-17/h3-8,13H,2,9-12,14H2,1H3
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| InChIKey |
BCQBDOPTUDKMGI-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