General Information of the Compound
| Compound ID |
CP0469027
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| Compound Name |
2-[3-(2-benzyl-1-oxo-5,6,7,8-tetrahydroisoquinolin-4-yl)-5-fluoro-2-methylindol-1-yl]acetic acid
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| Structure |
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| Formula |
C27H25FN2O3
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| Molecular Weight |
444.506
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| Canonical SMILES |
Cc1c(-c2cn(Cc3ccccc3)c(=O)c3CCCCc23)c2cc(F)ccc2n1CC(O)=O
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| InChI |
InChI=1S/C27H25FN2O3/c1-17-26(22-13-19(28)11-12-24(22)30(17)16-25(31)32)23-15-29(14-18-7-3-2-4-8-18)27(33)21-10-6-5-9-20(21)23/h2-4,7-8,11-13,15H,5-6,9-10,14,16H2,1H3,(H,31,32)
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| InChIKey |
JHKMILBDPJFFPJ-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