General Information of the Compound
| Compound ID |
CP0090593
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| Compound Name |
(R)-2-(8-(4-fluoro-N-methylphenylsulfonamido)-6,7,8,9-tetrahydro-5H-pyrazino[2,3-b]indol-5-yl)acetic acid
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| Structure |
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| Formula |
C19H19FN4O4S
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| Molecular Weight |
418.45
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| Canonical SMILES |
CN([C@@H]1CCc2c(C1)c1nccnc1n2CC(O)=O)S(=O)(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C19H19FN4O4S/c1-23(29(27,28)14-5-2-12(20)3-6-14)13-4-7-16-15(10-13)18-19(22-9-8-21-18)24(16)11-17(25)26/h2-3,5-6,8-9,13H,4,7,10-11H2,1H3,(H,25,26)/t13-/m1/s1
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| InChIKey |
TWQRVSJZLRCHNE-CYBMUJFWSA-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