General Information of the Compound
| Compound ID |
CP0635368
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| Compound Name |
2-(4-chloro-3-(2-oxo-2,3-dihydro-1H-imidazol-1-yl)phenylamino)-2-methyl-N-(4-(trifluoromethyl)-6H-thiazolo[5,4-e]indazol-2-yl)propanamide
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| Structure |
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| Formula |
C22H17ClF3N7O2S
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| Molecular Weight |
535.939
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| Canonical SMILES |
CC(C)(Nc1ccc(Cl)c(-n2cc[nH]c2=O)c1)C(=O)Nc1nc2c(C(F)(F)F)cc3[nH]ncc3c2s1
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| InChI |
InChI=1S/C22H17ClF3N7O2S/c1-21(2,31-10-3-4-13(23)15(7-10)33-6-5-27-20(33)35)18(34)30-19-29-16-12(22(24,25)26)8-14-11(9-28-32-14)17(16)36-19/h3-9,31H,1-2H3,(H,27,35)(H,28,32)(H,29,30,34)
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| InChIKey |
QVDUXSXBOMFTNR-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