General Information of the Compound
| Compound ID |
CP0549830
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| Compound Name |
1-(4-bromophenyl)-3-[2-oxo-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-3-yl]urea
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| Structure |
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| Formula |
C20H23BrN6O2
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| Molecular Weight |
459.348
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| Canonical SMILES |
Brc1ccc(NC(=O)NC2CCN(C3CCN(CC3)c3ncccn3)C2=O)cc1
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| InChI |
InChI=1S/C20H23BrN6O2/c21-14-2-4-15(5-3-14)24-20(29)25-17-8-13-27(18(17)28)16-6-11-26(12-7-16)19-22-9-1-10-23-19/h1-5,9-10,16-17H,6-8,11-13H2,(H2,24,25,29)
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| InChIKey |
HUFTXBZQLSLZFB-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