General Information of the Compound
| Compound ID |
CP0389684
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| Compound Name |
N-[4-methyl-3-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]phenyl]pyridine-2-sulfonamide
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| Structure |
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| Formula |
C25H21N3O3S2
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| Molecular Weight |
475.595
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| Canonical SMILES |
CN1Cc2cc(ccc2C1=O)-c1ccc(s1)-c1cc(NS(=O)(=O)c2ccccn2)ccc1C
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| InChI |
InChI=1S/C25H21N3O3S2/c1-16-6-8-19(27-33(30,31)24-5-3-4-12-26-24)14-21(16)23-11-10-22(32-23)17-7-9-20-18(13-17)15-28(2)25(20)29/h3-14,27H,15H2,1-2H3
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| InChIKey |
AHMPJEBZPOVCHW-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