General Information of the Compound
| Compound ID |
CP0229644
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| Compound Name |
5-cyano-1-[2-[4-(trifluoromethoxy)phenoxy]ethyl]indole-2-carboxylic acid
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| Structure |
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| Formula |
C19H13F3N2O4
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| Molecular Weight |
390.317
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| Canonical SMILES |
OC(=O)c1cc2cc(ccc2n1CCOc1ccc(OC(F)(F)F)cc1)C#N
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| InChI |
InChI=1S/C19H13F3N2O4/c20-19(21,22)28-15-4-2-14(3-5-15)27-8-7-24-16-6-1-12(11-23)9-13(16)10-17(24)18(25)26/h1-6,9-10H,7-8H2,(H,25,26)
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| InChIKey |
AHTITYNYBDULQW-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