General Information of the Compound
| Compound ID |
CP0500249
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| Compound Name |
1-[4-[(2-amino-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]-2-fluorophenyl]-3-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]urea
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| Structure |
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| Formula |
C28H27FN8O3
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| Molecular Weight |
542.575
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| Canonical SMILES |
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)c(N)nc23)cc1F)C(C)(C)C
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| InChI |
InChI=1S/C28H27FN8O3/c1-15-5-7-16(8-6-15)37-22(14-21(36-37)28(2,3)4)33-27(39)32-19-10-9-17(13-18(19)29)40-20-11-12-31-25-23(20)34-24(30)26(38)35-25/h5-14H,1-4H3,(H2,30,34)(H,31,35,38)(H2,32,33,39)
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| InChIKey |
CMSNZZOWVHRQHX-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