General Information of the Compound
| Compound ID |
CP0119740
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| Compound Name |
1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[5-(6-oxo-1H-pyridazin-3-yl)-1H-pyrazol-3-yl]urea
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| Structure |
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| Formula |
C22H24N8O2
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| Molecular Weight |
432.488
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| Canonical SMILES |
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cc(n[nH]1)-c1ccc(=O)[nH]n1)C(C)(C)C
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| InChI |
InChI=1S/C22H24N8O2/c1-13-5-7-14(8-6-13)30-19(12-17(29-30)22(2,3)4)24-21(32)23-18-11-16(26-27-18)15-9-10-20(31)28-25-15/h5-12H,1-4H3,(H,28,31)(H3,23,24,26,27,32)
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| InChIKey |
PLFCRBVMONXFRP-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