General Information of the Compound
| Compound ID |
CP0563994
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| Compound Name |
3-chloro-4-methyl-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 |
C25H20ClN3O3S2
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| Molecular Weight |
510.04
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| Canonical SMILES |
CN1Cc2cc(ccc2C1=O)-c1ccc(s1)-c1cncc(NS(=O)(=O)c2ccc(C)c(Cl)c2)c1
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| InChI |
InChI=1S/C25H20ClN3O3S2/c1-15-3-5-20(11-22(15)26)34(31,32)28-19-10-17(12-27-13-19)24-8-7-23(33-24)16-4-6-21-18(9-16)14-29(2)25(21)30/h3-13,28H,14H2,1-2H3
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| InChIKey |
OVHQBLNZTMXEHQ-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