General Information of the Compound
| Compound ID |
CP0398457
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| Compound Name |
4-[4-amino-3-[2-(methylamino)quinazolin-7-yl]oxybenzoyl]-1-methyl-2,5-diphenylpyrazol-3-one
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| Structure |
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| Formula |
C32H26N6O3
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| Molecular Weight |
542.599
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| Canonical SMILES |
CNc1ncc2ccc(Oc3cc(ccc3N)C(=O)c3c(-c4ccccc4)n(C)n(-c4ccccc4)c3=O)cc2n1
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| InChI |
InChI=1S/C32H26N6O3/c1-34-32-35-19-22-13-15-24(18-26(22)36-32)41-27-17-21(14-16-25(27)33)30(39)28-29(20-9-5-3-6-10-20)37(2)38(31(28)40)23-11-7-4-8-12-23/h3-19H,33H2,1-2H3,(H,34,35,36)
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| InChIKey |
JGQCTMHFTXGHEP-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
Protein ID: PT02815, Eukaryotic translation initiation factor 2-alpha kinase 3