General Information of the Compound
| Compound ID |
CP0572527
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| Compound Name |
4-(3,5-dimethylpyrazol-1-yl)-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 |
C29H25N5O3S2
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| Molecular Weight |
555.685
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| Canonical SMILES |
CN1Cc2cc(ccc2C1=O)-c1ccc(s1)-c1cncc(NS(=O)(=O)c2ccc(cc2)-n2nc(C)cc2C)c1
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| InChI |
InChI=1S/C29H25N5O3S2/c1-18-12-19(2)34(31-18)24-5-7-25(8-6-24)39(36,37)32-23-14-21(15-30-16-23)28-11-10-27(38-28)20-4-9-26-22(13-20)17-33(3)29(26)35/h4-16,32H,17H2,1-3H3
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| InChIKey |
UHITYSUIBZMORF-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