General Information of the Compound
| Compound ID |
CP0533240
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| Compound Name |
(6aR)-11-[(4-fluorophenyl)methoxy]-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 |
C27H29ClFNO2
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| Molecular Weight |
453.985
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| Canonical SMILES |
Cl.CCCN1CCc2cc(OC)cc-3c2[C@H]1Cc1cccc(OCc2ccc(F)cc2)c-31
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| InChI |
InChI=1S/C27H28FNO2.ClH/c1-3-12-29-13-11-20-14-22(30-2)16-23-26(20)24(29)15-19-5-4-6-25(27(19)23)31-17-18-7-9-21(28)10-8-18;/h4-10,14,16,24H,3,11-13,15,17H2,1-2H3;1H/t24-;/m1./s1
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| InChIKey |
FOCYHLWSNRBPJH-GJFSDDNBSA-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