General Information of the Compound
| Compound ID |
CP0549831
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| Compound Name |
1-(4-bromophenyl)-3-[2-oxo-1-(1-pyridin-4-ylpyrazol-4-yl)pyrrolidin-3-yl]urea
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| Structure |
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| Formula |
C19H17BrN6O2
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| Molecular Weight |
441.289
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| Canonical SMILES |
Brc1ccc(NC(=O)NC2CCN(C2=O)c2cnn(c2)-c2ccncc2)cc1
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| InChI |
InChI=1S/C19H17BrN6O2/c20-13-1-3-14(4-2-13)23-19(28)24-17-7-10-25(18(17)27)16-11-22-26(12-16)15-5-8-21-9-6-15/h1-6,8-9,11-12,17H,7,10H2,(H2,23,24,28)
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| InChIKey |
VLUKACIQVQJCSR-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