General Information of the Compound
| Compound ID |
CP0373071
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| Compound Name |
1-(5-tert-butyl-2-phenylpyrazol-3-yl)-3-[2-fluoro-4-[3-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-8-yl]oxyphenyl]urea
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| Structure |
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| Formula |
C32H34FN9O2
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| Molecular Weight |
595.683
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| Canonical SMILES |
CN1CCN(CC1)c1cnc2c(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccccc4)C(C)(C)C)c(F)c3)ccnc2n1
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| InChI |
InChI=1S/C32H34FN9O2/c1-32(2,3)26-19-27(42(39-26)21-8-6-5-7-9-21)38-31(43)36-24-11-10-22(18-23(24)33)44-25-12-13-34-30-29(25)35-20-28(37-30)41-16-14-40(4)15-17-41/h5-13,18-20H,14-17H2,1-4H3,(H2,36,38,43)
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| InChIKey |
NOVHPHRYEJIURW-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