General Information of the Compound
| Compound ID |
CP0470690
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| Compound Name |
1-[2-fluoro-4-[3-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-8-yl]oxyphenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
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| Structure |
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| Formula |
C26H22F5N7O2
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| Molecular Weight |
559.499
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| Canonical SMILES |
CN1CCN(CC1)c1cnc2c(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)c(F)c3)ccnc2n1
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| InChI |
InChI=1S/C26H22F5N7O2/c1-37-8-10-38(11-9-37)22-14-33-23-21(6-7-32-24(23)36-22)40-16-3-5-19(18(28)13-16)34-25(39)35-20-12-15(26(29,30)31)2-4-17(20)27/h2-7,12-14H,8-11H2,1H3,(H2,34,35,39)
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| InChIKey |
FYJYZQYGCSFZQW-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