General Information of the Compound
| Compound ID |
CP0211747
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| Compound Name |
2-[5-fluoro-2-methyl-3-[(4-methylsulfonylphenyl)methyl]indol-1-yl]acetic acid
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| Structure |
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| Formula |
C19H18FNO4S
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| Molecular Weight |
375.421
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| Canonical SMILES |
Cc1c(Cc2ccc(cc2)S(C)(=O)=O)c2cc(F)ccc2n1CC(O)=O
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| InChI |
InChI=1S/C19H18FNO4S/c1-12-16(9-13-3-6-15(7-4-13)26(2,24)25)17-10-14(20)5-8-18(17)21(12)11-19(22)23/h3-8,10H,9,11H2,1-2H3,(H,22,23)
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| InChIKey |
VURBJTJUNFTLRH-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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