General Information of the Compound
| Compound ID |
CP0116139
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| Compound Name |
4-[2-amino-3-(2-amino-1,3-benzothiazol-6-yl)-4-methylbenzoyl]-1-methyl-2,5-diphenylpyrazol-3-one
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| Structure |
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| Formula |
C31H25N5O2S
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| Molecular Weight |
531.641
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| Canonical SMILES |
Cc1ccc(C(=O)c2c(-c3ccccc3)n(C)n(-c3ccccc3)c2=O)c(N)c1-c1ccc2nc(N)sc2c1
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| InChI |
InChI=1S/C31H25N5O2S/c1-18-13-15-22(27(32)25(18)20-14-16-23-24(17-20)39-31(33)34-23)29(37)26-28(19-9-5-3-6-10-19)35(2)36(30(26)38)21-11-7-4-8-12-21/h3-17H,32H2,1-2H3,(H2,33,34)
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| InChIKey |
GNBOANVFMKLPAQ-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