General Information of the Compound
| Compound ID |
CP0475272
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| Compound Name |
[(6aR)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl] 4-fluorobenzoate;hydrochloride
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| Structure |
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| Formula |
C25H23ClFNO3
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| Molecular Weight |
439.914
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| Canonical SMILES |
Cl.COc1cc2CCN(C)[C@@H]3Cc4cccc(OC(=O)c5ccc(F)cc5)c4-c(c1)c23
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| InChI |
InChI=1S/C25H22FNO3.ClH/c1-27-11-10-17-12-19(29-2)14-20-23(17)21(27)13-16-4-3-5-22(24(16)20)30-25(28)15-6-8-18(26)9-7-15;/h3-9,12,14,21H,10-11,13H2,1-2H3;1H/t21-;/m1./s1
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| InChIKey |
VCMDDWGXJRILRW-ZMBIFBSDSA-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