General Information of the Compound
| Compound ID |
CP0563995
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| Compound Name |
N-[5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]pyridin-3-yl]thiophene-3-sulfonamide
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| Structure |
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| Formula |
C22H17N3O3S3
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| Molecular Weight |
467.597
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| Canonical SMILES |
CN1Cc2cc(ccc2C1=O)-c1ccc(s1)-c1cncc(NS(=O)(=O)c2ccsc2)c1
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| InChI |
InChI=1S/C22H17N3O3S3/c1-25-12-16-8-14(2-3-19(16)22(25)26)20-4-5-21(30-20)15-9-17(11-23-10-15)24-31(27,28)18-6-7-29-13-18/h2-11,13,24H,12H2,1H3
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| InChIKey |
RUZJUKWUSKVXNQ-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