General Information of the Compound
| Compound ID |
CP0570159
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| Compound Name |
4-[[5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]pyridin-3-yl]sulfamoyl]benzoic acid
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| Structure |
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| Formula |
C25H19N3O5S2
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| Molecular Weight |
505.577
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| Canonical SMILES |
CN1Cc2cc(ccc2C1=O)-c1ccc(s1)-c1cncc(NS(=O)(=O)c2ccc(cc2)C(O)=O)c1
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| InChI |
InChI=1S/C25H19N3O5S2/c1-28-14-18-10-16(4-7-21(18)24(28)29)22-8-9-23(34-22)17-11-19(13-26-12-17)27-35(32,33)20-5-2-15(3-6-20)25(30)31/h2-13,27H,14H2,1H3,(H,30,31)
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| InChIKey |
YUPUGDKVARYXQW-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