General Information of the Compound
| Compound ID |
CP0471313
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| Compound Name |
(6aR)-11-(2-fluoroethoxy)-2-methoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline;hydrochloride
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| Structure |
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| Formula |
C22H27ClFNO2
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| Molecular Weight |
391.914
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| Canonical SMILES |
Cl.CCCN1CCc2cc(OC)cc-3c2[C@H]1Cc1cccc(OCCF)c-31
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| InChI |
InChI=1S/C22H26FNO2.ClH/c1-3-9-24-10-7-16-12-17(25-2)14-18-21(16)19(24)13-15-5-4-6-20(22(15)18)26-11-8-23;/h4-6,12,14,19H,3,7-11,13H2,1-2H3;1H/t19-;/m1./s1
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| InChIKey |
OCRUOMGABJDGGB-FSRHSHDFSA-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