General Information of the Compound
| Compound ID |
CP0576363
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| Compound Name |
3-(6-amino-5-(2-methyl-2H-1,2,3-triazol-4-yl)pyridin-3-yl)-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide hydrochloride
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| Structure |
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| Formula |
C19H24N6O3S
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| Molecular Weight |
416.507
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| Canonical SMILES |
Cc1ccc(cc1-c1cnc(N)c(c1)-c1cnn(C)n1)S(=O)(=O)NCC(C)(C)O
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| InChI |
InChI=1S/C19H24N6O3S/c1-12-5-6-14(29(27,28)23-11-19(2,3)26)8-15(12)13-7-16(18(20)21-9-13)17-10-22-25(4)24-17/h5-10,23,26H,11H2,1-4H3,(H2,20,21)
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| InChIKey |
OUGWFIXWGKIEGR-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