General Information of the Compound
| Compound ID |
CP0438575
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| Compound Name |
(6aR)-11-(3-fluoropropoxy)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline;hydrochloride
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| Structure |
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| Formula |
C21H25ClFNO2
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| Molecular Weight |
377.887
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| Canonical SMILES |
Cl.COc1cc2CCN(C)[C@@H]3Cc4cccc(OCCCF)c4-c(c1)c23
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| InChI |
InChI=1S/C21H24FNO2.ClH/c1-23-9-7-15-11-16(24-2)13-17-20(15)18(23)12-14-5-3-6-19(21(14)17)25-10-4-8-22;/h3,5-6,11,13,18H,4,7-10,12H2,1-2H3;1H/t18-;/m1./s1
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| InChIKey |
NPTRBLVHYZQTQL-GMUIIQOCSA-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C