General Information of the Compound
| Compound ID |
CP0513123
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| Compound Name |
2-[5-chloro-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 |
C18H14ClF3N2O3
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| Molecular Weight |
398.768
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| Canonical SMILES |
Cc1c(-c2ccc(=O)n(CC(F)(F)F)c2)c2cc(Cl)ccc2n1CC(O)=O
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| InChI |
InChI=1S/C18H14ClF3N2O3/c1-10-17(11-2-5-15(25)23(7-11)9-18(20,21)22)13-6-12(19)3-4-14(13)24(10)8-16(26)27/h2-7H,8-9H2,1H3,(H,26,27)
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| InChIKey |
YIIJLXGEQMZOJV-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