General Information of the Compound
| Compound ID |
CP0494974
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| Compound Name |
1-(4-bromophenyl)-3-[1-(1,3-dimethylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]urea
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| Structure |
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| Formula |
C16H18BrN5O2
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| Molecular Weight |
392.257
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| Canonical SMILES |
Cc1nn(C)cc1N1CCC(NC(=O)Nc2ccc(Br)cc2)C1=O
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| InChI |
InChI=1S/C16H18BrN5O2/c1-10-14(9-21(2)20-10)22-8-7-13(15(22)23)19-16(24)18-12-5-3-11(17)4-6-12/h3-6,9,13H,7-8H2,1-2H3,(H2,18,19,24)
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| InChIKey |
WPOPBEUSMAIIMY-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