General Information of the Compound
| Compound ID |
CP0305393
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| Compound Name |
1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-(5-imidazo[1,2-a]pyridin-6-yl-1H-pyrazol-3-yl)urea
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| Structure |
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| Formula |
C25H26N8O
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| Molecular Weight |
454.538
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| Canonical SMILES |
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cc(n[nH]1)-c1ccc2nccn2c1)C(C)(C)C
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| InChI |
InChI=1S/C25H26N8O/c1-16-5-8-18(9-6-16)33-23(14-20(31-33)25(2,3)4)28-24(34)27-21-13-19(29-30-21)17-7-10-22-26-11-12-32(22)15-17/h5-15H,1-4H3,(H3,27,28,29,30,34)
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| InChIKey |
RNIUJCMMWSKQLR-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