General Information of the Compound
| Compound ID |
CP0481074
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| Compound Name |
N-[5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]pyridin-3-yl]-4-methylsulfonylbenzenesulfonamide
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| Structure |
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| Formula |
C25H21N3O5S3
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| Molecular Weight |
539.66
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| Canonical SMILES |
CN1Cc2cc(ccc2C1=O)-c1ccc(s1)-c1cncc(NS(=O)(=O)c2ccc(cc2)S(C)(=O)=O)c1
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| InChI |
InChI=1S/C25H21N3O5S3/c1-28-15-18-11-16(3-8-22(18)25(28)29)23-9-10-24(34-23)17-12-19(14-26-13-17)27-36(32,33)21-6-4-20(5-7-21)35(2,30)31/h3-14,27H,15H2,1-2H3
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| InChIKey |
IBAWAETWOXNVKH-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