General Information of the Compound
| Compound ID |
CP0300763
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| Compound Name |
N-[2-[4-[(2,4-dioxopyrimidin-1-yl)methyl]phenyl]propan-2-yl]-3-methoxybenzenesulfonamide
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| Structure |
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| Formula |
C21H23N3O5S
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| Molecular Weight |
429.498
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| Canonical SMILES |
COc1cccc(c1)S(=O)(=O)NC(C)(C)c1ccc(Cn2ccc(=O)[nH]c2=O)cc1
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| InChI |
InChI=1S/C21H23N3O5S/c1-21(2,23-30(27,28)18-6-4-5-17(13-18)29-3)16-9-7-15(8-10-16)14-24-12-11-19(25)22-20(24)26/h4-13,23H,14H2,1-3H3,(H,22,25,26)
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| InChIKey |
YQZYEOIFRBIMQM-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