General Information of the Compound
| Compound ID |
CP0531421
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| Compound Name |
3-[5-amino-6-(2-methyltriazol-4-yl)pyrazin-2-yl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide
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| Structure |
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| Formula |
C18H23N7O3S
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| Molecular Weight |
417.495
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| Canonical SMILES |
Cc1ccc(cc1-c1cnc(N)c(n1)-c1cnn(C)n1)S(=O)(=O)NCC(C)(C)O
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| InChI |
InChI=1S/C18H23N7O3S/c1-11-5-6-12(29(27,28)22-10-18(2,3)26)7-13(11)14-8-20-17(19)16(23-14)15-9-21-25(4)24-15/h5-9,22,26H,10H2,1-4H3,(H2,19,20)
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| InChIKey |
MMUWYVIIEWCTLD-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