General Information of the Compound
| Compound ID |
CP0633742
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| Compound Name |
2-(4-chloro-3-(methylsulfonamido)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 |
C20H18ClF3N6O3S2
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| Molecular Weight |
546.984
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| Canonical SMILES |
CC(C)(Nc1ccc(Cl)c(NS(C)(=O)=O)c1)C(=O)Nc1nc2c(C(F)(F)F)cc3[nH]ncc3c2s1
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| InChI |
InChI=1S/C20H18ClF3N6O3S2/c1-19(2,28-9-4-5-12(21)14(6-9)30-35(3,32)33)17(31)27-18-26-15-11(20(22,23)24)7-13-10(8-25-29-13)16(15)34-18/h4-8,28,30H,1-3H3,(H,25,29)(H,26,27,31)
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| InChIKey |
FHDYRKMYVDZJBI-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