General Information of the Compound
| Compound ID |
CP0563436
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| Compound Name |
3-[5-amino-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]-N-(3-hydroxy-3-methylbutyl)-4-methylbenzenesulfonamide
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| Structure |
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| Formula |
C20H25N5O3S2
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| Molecular Weight |
447.586
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| Canonical SMILES |
Cc1ncc(s1)-c1nc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCCC(C)(C)O
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| InChI |
InChI=1S/C20H25N5O3S2/c1-12-5-6-14(30(27,28)24-8-7-20(3,4)26)9-15(12)16-10-23-19(21)18(25-16)17-11-22-13(2)29-17/h5-6,9-11,24,26H,7-8H2,1-4H3,(H2,21,23)
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| InChIKey |
GLNUMAOLJXQNNC-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