General Information of the Compound
| Compound ID |
CP0384278
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| Compound Name |
1-(3-(4-bromo-1-methyl-1H-pyrazol-5-yl)phenyl)-3-(4-chlorophenyl)urea
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| Structure |
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| Formula |
C17H14BrClN4O
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| Molecular Weight |
405.683
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| Canonical SMILES |
Cn1ncc(Br)c1-c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1
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| InChI |
InChI=1S/C17H14BrClN4O/c1-23-16(15(18)10-20-23)11-3-2-4-14(9-11)22-17(24)21-13-7-5-12(19)6-8-13/h2-10H,1H3,(H2,21,22,24)
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| InChIKey |
MGQBRTUTEMOGLZ-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