General Information of the Compound
| Compound ID |
CP0444730
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| Compound Name |
2,4-difluoro-N-[5-[5-[2-(3-hydroxypropyl)-1-oxo-3H-isoindol-5-yl]thiophen-2-yl]pyridin-3-yl]benzenesulfonamide
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| Structure |
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| Formula |
C26H21F2N3O4S2
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| Molecular Weight |
541.601
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| Canonical SMILES |
OCCCN1Cc2cc(ccc2C1=O)-c1ccc(s1)-c1cncc(NS(=O)(=O)c2ccc(F)cc2F)c1
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| InChI |
InChI=1S/C26H21F2N3O4S2/c27-19-3-7-25(22(28)12-19)37(34,35)30-20-11-17(13-29-14-20)24-6-5-23(36-24)16-2-4-21-18(10-16)15-31(26(21)33)8-1-9-32/h2-7,10-14,30,32H,1,8-9,15H2
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| InChIKey |
GBXBXAIBPSCFSO-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