General Information of the Compound
| Compound ID |
CP0497130
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| Compound Name |
1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[2-fluoro-4-(3-morpholin-4-ylpyrido[2,3-b]pyrazin-8-yl)oxyphenyl]urea
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| Structure |
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| Formula |
C32H33FN8O3
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| Molecular Weight |
596.667
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| Canonical SMILES |
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3nc(cnc23)N2CCOCC2)cc1F)C(C)(C)C
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| InChI |
InChI=1S/C32H33FN8O3/c1-20-5-7-21(8-6-20)41-27(18-26(39-41)32(2,3)4)38-31(42)36-24-10-9-22(17-23(24)33)44-25-11-12-34-30-29(25)35-19-28(37-30)40-13-15-43-16-14-40/h5-12,17-19H,13-16H2,1-4H3,(H2,36,38,42)
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| InChIKey |
LHCBNTOOOXLESF-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