General Information of the Compound
| Compound ID |
CP0494972
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| Compound Name |
1-(4-bromophenyl)-3-[2-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]urea
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| Structure |
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| Formula |
C17H20BrN5O2
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| Molecular Weight |
406.284
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| Canonical SMILES |
CC(C)n1cc(cn1)N1CCC(NC(=O)Nc2ccc(Br)cc2)C1=O
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| InChI |
InChI=1S/C17H20BrN5O2/c1-11(2)23-10-14(9-19-23)22-8-7-15(16(22)24)21-17(25)20-13-5-3-12(18)4-6-13/h3-6,9-11,15H,7-8H2,1-2H3,(H2,20,21,25)
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| InChIKey |
ASUWNSGIEYSCMQ-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