General Information of the Compound
| Compound ID |
CP0537960
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| Compound Name |
N-[5-[5-[2-[2-(dimethylamino)ethyl]-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 |
C27H24F2N4O3S2
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| Molecular Weight |
554.644
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| Canonical SMILES |
CN(C)CCN1Cc2cc(ccc2C1=O)-c1ccc(s1)-c1cncc(NS(=O)(=O)c2ccc(F)cc2F)c1
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| InChI |
InChI=1S/C27H24F2N4O3S2/c1-32(2)9-10-33-16-19-11-17(3-5-22(19)27(33)34)24-6-7-25(37-24)18-12-21(15-30-14-18)31-38(35,36)26-8-4-20(28)13-23(26)29/h3-8,11-15,31H,9-10,16H2,1-2H3
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| InChIKey |
VWGSDSSHJASNKM-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