General Information of the Compound
| Compound ID |
CP0481963
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| Compound Name |
2-[5-fluoro-2-methyl-3-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-5-yl)indol-1-yl]acetic acid
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| Structure |
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| Formula |
C21H21FN2O4S
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| Molecular Weight |
416.474
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| Canonical SMILES |
Cc1c(-c2cccc3CN(CCc23)S(C)(=O)=O)c2cc(F)ccc2n1CC(O)=O
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| InChI |
InChI=1S/C21H21FN2O4S/c1-13-21(18-10-15(22)6-7-19(18)24(13)12-20(25)26)17-5-3-4-14-11-23(29(2,27)28)9-8-16(14)17/h3-7,10H,8-9,11-12H2,1-2H3,(H,25,26)
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| InChIKey |
GVSNFGIGFKPAEE-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