IUPAC Name: | 2-(1-hydroxypentyl)-6-methyl-3-(2-phenylethyl)-1H-indole-5-carboxylic acid |
Description: | 2-(1-Hydroxypentyl)-6-methyl-3-(2-phenylethyl)-1H-indole-5-carboxylic acid is an aromatic heterocyclic compound as PDZ domain inhibitor used for treatment of cancer. |
Molecular Weight: | 365.47 |
Molecular Formula: | C23H27NO3 |
Canonical SMILES: | CCCCC(C1=C(C2=C(N1)C=C(C(=C2)C(=O)O)C)CCC3=CC=CC=C3)O |
InChI: | InChI=1S/C23H27NO3/c1-3-4-10-21(25)22-17(12-11-16-8-6-5-7-9-16)19-14-18(23(26)27)15(2)13-20(19)24-22/h5-9,13-14,21,24-25H,3-4,10-12H2,1-2H3,(H,26,27) |
InChI Key: | CTHUKURTASAUTM-UHFFFAOYSA-N |
References: | Cardone, R., et al. Mol. Biol. Cell., 18, 1768 (2001), Dai, J., et al. Oncogene, 23, 8681 (2004), Pan, Y., et al. Breast Cancer Res., 2006, 8, 63 (2006),. |
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