General Information of the Compound
| Compound ID |
CP0908160
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| Compound Name |
3-(2-Carboxyethyl)-4,6-di(trifluoromethyl)-1H-indole-2-carboxylic acid
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| Structure |
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| Formula |
C14H9F6NO4
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| Molecular Weight |
369.217
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| Canonical SMILES |
O=C(O)CCc1c(C(=O)O)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12
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| InChI |
InChI=1S/C14H9F6NO4/c15-13(16,17)5-3-7(14(18,19)20)10-6(1-2-9(22)23)11(12(24)25)21-8(10)4-5/h3-4,21H,1-2H2,(H,22,23)(H,24,25)
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| InChIKey |
QBBWSGUOOGKLSA-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