General Information of the Compound
| Compound ID |
CP0485659
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| Compound Name |
2-cyano-N-[5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]pyridin-3-yl]benzenesulfonamide
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| Structure |
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| Formula |
C25H18N4O3S2
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| Molecular Weight |
486.578
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| Canonical SMILES |
CN1Cc2cc(ccc2C1=O)-c1ccc(s1)-c1cncc(NS(=O)(=O)c2ccccc2C#N)c1
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| InChI |
InChI=1S/C25H18N4O3S2/c1-29-15-19-10-16(6-7-21(19)25(29)30)22-8-9-23(33-22)18-11-20(14-27-13-18)28-34(31,32)24-5-3-2-4-17(24)12-26/h2-11,13-14,28H,15H2,1H3
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| InChIKey |
RSCLBAHWRNDJBS-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