General Information of the Compound
| Compound ID |
CP0633741
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| Compound Name |
2-(3-acetamido-4-fluorophenylamino)-2-methyl-N-(4-(trifluoromethyl)-6H-thiazolo[5,4-e]indazol-2-yl)propanamide
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| Structure |
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| Formula |
C21H18F4N6O2S
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| Molecular Weight |
494.474
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| Canonical SMILES |
CC(=O)Nc1cc(NC(C)(C)C(=O)Nc2nc3c(C(F)(F)F)cc4[nH]ncc4c3s2)ccc1F
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| InChI |
InChI=1S/C21H18F4N6O2S/c1-9(32)27-15-6-10(4-5-13(15)22)30-20(2,3)18(33)29-19-28-16-12(21(23,24)25)7-14-11(8-26-31-14)17(16)34-19/h4-8,30H,1-3H3,(H,26,31)(H,27,32)(H,28,29,33)
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| InChIKey |
ICVWYIZCPUIPOY-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: PT00980, Aurora kinase A
Protein ID: PT02377, Beta-adrenergic receptor kinase 1