General Information of the Compound
| Compound ID |
CP0568771
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| Compound Name |
1-(4-bromophenyl)-3-[2-oxo-1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]urea
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| Structure |
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| Formula |
C17H23BrN4O2
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| Molecular Weight |
395.301
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| Canonical SMILES |
Brc1ccc(NC(=O)NC2CCN(CC3CCNCC3)C2=O)cc1
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| InChI |
InChI=1S/C17H23BrN4O2/c18-13-1-3-14(4-2-13)20-17(24)21-15-7-10-22(16(15)23)11-12-5-8-19-9-6-12/h1-4,12,15,19H,5-11H2,(H2,20,21,24)
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| InChIKey |
CRJXHFPQHQYVRK-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