General Information of the Compound
| Compound ID |
CP0576364
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| Compound Name |
3-(6-Amino-5-(3-methylisoxazol-5-yl)pyridin-3-yl)-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide
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| Structure |
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| Formula |
C20H24N4O4S
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| Molecular Weight |
416.503
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| Canonical SMILES |
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)O
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| InChI |
InChI=1S/C20H24N4O4S/c1-12-5-6-15(29(26,27)23-11-20(3,4)25)9-16(12)14-8-17(19(21)22-10-14)18-7-13(2)24-28-18/h5-10,23,25H,11H2,1-4H3,(H2,21,22)
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| InChIKey |
PJSOHQYOAVQLMP-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