General Information of the Compound
| Compound ID |
CP0537959
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| Compound Name |
N-[5-[5-[2-(2,3-dihydroxypropyl)-1-oxo-3H-isoindol-5-yl]thiophen-2-yl]pyridin-3-yl]-2,4-difluorobenzenesulfonamide
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| Structure |
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| Formula |
C26H21F2N3O5S2
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| Molecular Weight |
557.6
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| Canonical SMILES |
OCC(O)CN1Cc2cc(ccc2C1=O)-c1ccc(s1)-c1cncc(NS(=O)(=O)c2ccc(F)cc2F)c1
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| InChI |
InChI=1S/C26H21F2N3O5S2/c27-18-2-6-25(22(28)9-18)38(35,36)30-19-8-16(10-29-11-19)24-5-4-23(37-24)15-1-3-21-17(7-15)12-31(26(21)34)13-20(33)14-32/h1-11,20,30,32-33H,12-14H2
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| InChIKey |
DTWPOZIFYSEGNX-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