General Information of the Compound
| Compound ID |
CP0458488
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| Compound Name |
2-[5-methoxy-2-methyl-3-[6-oxo-1-(2,2,2-trifluoroethyl)pyridin-3-yl]indol-1-yl]acetic acid
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| Structure |
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| Formula |
C19H17F3N2O4
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| Molecular Weight |
394.349
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| Canonical SMILES |
COc1ccc2n(CC(O)=O)c(C)c(-c3ccc(=O)n(CC(F)(F)F)c3)c2c1
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| InChI |
InChI=1S/C19H17F3N2O4/c1-11-18(12-3-6-16(25)23(8-12)10-19(20,21)22)14-7-13(28-2)4-5-15(14)24(11)9-17(26)27/h3-8H,9-10H2,1-2H3,(H,26,27)
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| InChIKey |
CYZWSJHTRLXGDD-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