General Information of the Compound
| Compound ID |
CP0089461
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| Compound Name |
1-methyl-4-[4-methyl-3-[2-(methylamino)quinazolin-7-yl]oxybenzoyl]-2,5-diphenylpyrazol-3-one
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| Structure |
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| Formula |
C33H27N5O3
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| Molecular Weight |
541.611
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| Canonical SMILES |
CNc1ncc2ccc(Oc3cc(ccc3C)C(=O)c3c(-c4ccccc4)n(C)n(-c4ccccc4)c3=O)cc2n1
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| InChI |
InChI=1S/C33H27N5O3/c1-21-14-15-23(18-28(21)41-26-17-16-24-20-35-33(34-2)36-27(24)19-26)31(39)29-30(22-10-6-4-7-11-22)37(3)38(32(29)40)25-12-8-5-9-13-25/h4-20H,1-3H3,(H,34,35,36)
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| InChIKey |
QLCVZRYQHBSADC-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