General Information of the Compound
| Compound ID |
CP0634075
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| Compound Name |
2-chloro-5-(2-methyl-1-oxo-1-(4-(trifluoromethyl)-6H-thiazolo[5,4-e]indazol-2-ylamino)propan-2-ylamino)benzamide
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| Structure |
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| Formula |
C20H16ClF3N6O2S
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| Molecular Weight |
496.902
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| Canonical SMILES |
CC(C)(Nc1ccc(Cl)c(C(N)=O)c1)C(=O)Nc1nc2c(C(F)(F)F)cc3[nH]ncc3c2s1
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| InChI |
InChI=1S/C20H16ClF3N6O2S/c1-19(2,29-8-3-4-12(21)9(5-8)16(25)31)17(32)28-18-27-14-11(20(22,23)24)6-13-10(7-26-30-13)15(14)33-18/h3-7,29H,1-2H3,(H2,25,31)(H,26,30)(H,27,28,32)
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| InChIKey |
ITHPWIHYZQLUIG-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
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000111 | MDA-MB-231 | Homo sapiens (Human) | 1 |
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IC50 = 1600 nM
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| CL000145 | NCI-H460 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 900 nM
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