General Information of the Compound
| Compound ID |
CP0467866
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| Compound Name |
2-[5-fluoro-2-methyl-3-[1-oxo-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroisoquinolin-4-yl]indol-1-yl]acetic acid
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| Structure |
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| Formula |
C22H20F4N2O3
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| Molecular Weight |
436.405
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| Canonical SMILES |
Cc1c(-c2cn(CC(F)(F)F)c(=O)c3CCCCc23)c2cc(F)ccc2n1CC(O)=O
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| InChI |
InChI=1S/C22H20F4N2O3/c1-12-20(16-8-13(23)6-7-18(16)28(12)10-19(29)30)17-9-27(11-22(24,25)26)21(31)15-5-3-2-4-14(15)17/h6-9H,2-5,10-11H2,1H3,(H,29,30)
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| InChIKey |
MVHNHPNYTVNDAL-UHFFFAOYSA-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