General Information of the Compound
| Compound ID |
CP0532499
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| Compound Name |
1-(4-bromophenyl)-3-(2-oxo-1-piperidin-4-ylpyrrolidin-3-yl)urea
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| Structure |
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| Formula |
C16H21BrN4O2
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| Molecular Weight |
381.274
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| Canonical SMILES |
Brc1ccc(NC(=O)NC2CCN(C3CCNCC3)C2=O)cc1
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| InChI |
InChI=1S/C16H21BrN4O2/c17-11-1-3-12(4-2-11)19-16(23)20-14-7-10-21(15(14)22)13-5-8-18-9-6-13/h1-4,13-14,18H,5-10H2,(H2,19,20,23)
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| InChIKey |
XRXSAOBBEYHYEE-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