General Information of the Compound
| Compound ID |
CP0116140
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| Compound Name |
4-[2-amino-3-[2-(fluoromethyl)-1,3-benzothiazol-6-yl]-4-methylbenzoyl]-1-methyl-2,5-diphenylpyrazol-3-one
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| Structure |
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| Formula |
C32H25FN4O2S
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| Molecular Weight |
548.643
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| Canonical SMILES |
Cc1ccc(C(=O)c2c(-c3ccccc3)n(C)n(-c3ccccc3)c2=O)c(N)c1-c1ccc2nc(CF)sc2c1
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| InChI |
InChI=1S/C32H25FN4O2S/c1-19-13-15-23(29(34)27(19)21-14-16-24-25(17-21)40-26(18-33)35-24)31(38)28-30(20-9-5-3-6-10-20)36(2)37(32(28)39)22-11-7-4-8-12-22/h3-17H,18,34H2,1-2H3
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| InChIKey |
KLMUKGOQPKWEOQ-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