General Information of the Compound
| Compound ID |
CP0492308
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| Compound Name |
(R)-Trifluoro-methanesulfonic acid 2-(6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl)-3-trifluoromethanesulfonyloxy-phenyl ester
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| Structure |
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| Formula |
C25H19F6NO6S2
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| Molecular Weight |
607.55
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| Canonical SMILES |
CN1CCc2cccc-3c2[C@H]1Cc1cccc(c-31)-c1c(OS(=O)(=O)C(F)(F)F)cccc1OS(=O)(=O)C(F)(F)F
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| InChI |
InChI=1S/C25H19F6NO6S2/c1-32-12-11-14-5-2-7-16-21-15(13-18(32)22(14)16)6-3-8-17(21)23-19(37-39(33,34)24(26,27)28)9-4-10-20(23)38-40(35,36)25(29,30)31/h2-10,18H,11-13H2,1H3/t18-/m1/s1
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| InChIKey |
PNFSZBQKXYOEES-GOSISDBHSA-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01746, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor