General Information of the Compound
| Compound ID |
CP0416185
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| Compound Name |
2-[5-fluoro-2-methyl-3-(1-oxo-2-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-4-yl)indol-1-yl]acetic acid
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| Structure |
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| Formula |
C23H25FN2O3
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| Molecular Weight |
396.462
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| Canonical SMILES |
CC(C)n1cc(-c2c(C)n(CC(O)=O)c3ccc(F)cc23)c2CCCCc2c1=O
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| InChI |
InChI=1S/C23H25FN2O3/c1-13(2)25-11-19(16-6-4-5-7-17(16)23(25)29)22-14(3)26(12-21(27)28)20-9-8-15(24)10-18(20)22/h8-11,13H,4-7,12H2,1-3H3,(H,27,28)
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| InChIKey |
PJZWXMYBIRCOKM-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