General Information of the Compound
| Compound ID |
CP0532080
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| Compound Name |
2-[1-[1-[2,4-bis(methylsulfonyl)phenyl]-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-thiazole
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| Structure |
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| Formula |
C21H19N5O4S3
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| Molecular Weight |
501.615
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| Canonical SMILES |
CS(=O)(=O)c1ccc(N2CCc3c2nccc3-n2ccc(n2)-c2nccs2)c(c1)S(C)(=O)=O
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| InChI |
InChI=1S/C21H19N5O4S3/c1-32(27,28)14-3-4-18(19(13-14)33(2,29)30)25-10-6-15-17(5-8-22-20(15)25)26-11-7-16(24-26)21-23-9-12-31-21/h3-5,7-9,11-13H,6,10H2,1-2H3
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| InChIKey |
CZKCJVUCJQOFIG-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