General Information of the Compound
| Compound ID |
CP0530988
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| Compound Name |
[(6aR)-2-methoxy-6-propyl-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 |
C27H27ClFNO3
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| Molecular Weight |
467.968
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| Canonical SMILES |
Cl.CCCN1CCc2cc(OC)cc-3c2[C@H]1Cc1cccc(OC(=O)c2ccc(F)cc2)c-31
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| InChI |
InChI=1S/C27H26FNO3.ClH/c1-3-12-29-13-11-19-14-21(31-2)16-22-25(19)23(29)15-18-5-4-6-24(26(18)22)32-27(30)17-7-9-20(28)10-8-17;/h4-10,14,16,23H,3,11-13,15H2,1-2H3;1H/t23-;/m1./s1
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| InChIKey |
UQONGKMUVKJFEW-GNAFDRTKSA-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