General Information of the Compound
| Compound ID |
CP0395689
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| Compound Name |
N-[(E)-7-(2,4-dioxopyrimidin-1-yl)-2-methylhept-5-en-2-yl]benzenesulfonamide
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| Structure |
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| Formula |
C18H23N3O4S
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| Molecular Weight |
377.466
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| Canonical SMILES |
CC(C)(CC\C=C\Cn1ccc(=O)[nH]c1=O)NS(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C18H23N3O4S/c1-18(2,20-26(24,25)15-9-5-3-6-10-15)12-7-4-8-13-21-14-11-16(22)19-17(21)23/h3-6,8-11,14,20H,7,12-13H2,1-2H3,(H,19,22,23)/b8-4+
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| InChIKey |
OEQYRLAEGMBDLF-XBXARRHUSA-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