General Information of the Compound
| Compound ID |
CP0048855
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| Compound Name |
(R)-2-(9-(4-fluoro-N-methylphenylsulfonamido)-7,8,9,10-tetrahydropyrido[2,1-a]isoindol-6-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 |
CN([C@@H]1CCc2c(CC(O)=O)n3ccccc3c2C1)S(=O)(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C21H21FN2O4S/c1-23(29(27,28)16-8-5-14(22)6-9-16)15-7-10-17-18(12-15)19-4-2-3-11-24(19)20(17)13-21(25)26/h2-6,8-9,11,15H,7,10,12-13H2,1H3,(H,25,26)/t15-/m1/s1
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| InChIKey |
SNFXVJPZRORJQP-OAHLLOKOSA-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