General Information of the Compound
| Compound ID |
CP0148901
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| Compound Name |
(R)-2-(6-(4-fluoro-N-methylphenylsulfonamido)-7,8-dihydro-5H-pyrido[3,4-b]indol-9(6H)-yl)acetic acid
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| Structure |
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| Formula |
C20H20FN3O4S
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| Molecular Weight |
417.462
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| Canonical SMILES |
CN([C@@H]1CCc2c(C1)c1ccncc1n2CC(O)=O)S(=O)(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C20H20FN3O4S/c1-23(29(27,28)15-5-2-13(21)3-6-15)14-4-7-18-17(10-14)16-8-9-22-11-19(16)24(18)12-20(25)26/h2-3,5-6,8-9,11,14H,4,7,10,12H2,1H3,(H,25,26)/t14-/m1/s1
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| InChIKey |
UHMQYWPLWZKMOS-CQSZACIVSA-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