General Information of the Compound
| Compound ID |
CP0260457
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| Compound Name |
2-[3-[2-(2,2-dimethylpropyl)-1-oxoisoquinolin-4-yl]-5-fluoro-2-methylindol-1-yl]acetic acid
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| Structure |
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| Formula |
C25H25FN2O3
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| Molecular Weight |
420.484
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| Canonical SMILES |
Cc1c(-c2cn(CC(C)(C)C)c(=O)c3ccccc23)c2cc(F)ccc2n1CC(O)=O
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| InChI |
InChI=1S/C25H25FN2O3/c1-15-23(19-11-16(26)9-10-21(19)28(15)13-22(29)30)20-12-27(14-25(2,3)4)24(31)18-8-6-5-7-17(18)20/h5-12H,13-14H2,1-4H3,(H,29,30)
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| InChIKey |
PQDMDOPPJQYUJM-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