General Information of the Compound
| Compound ID |
CP0637979
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| Compound Name |
3-(2-methyl-1-oxo-1-(4-(trifluoromethyl)-6H-thiazolo[5,4-e]indazol-2-ylamino)propan-2-ylamino)benzoic acid
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| Structure |
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| Formula |
C20H16F3N5O3S
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| Molecular Weight |
463.441
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| Canonical SMILES |
CC(C)(Nc1cccc(C(=O)O)c1)C(=O)Nc1nc2c(C(F)(F)F)cc3[nH]ncc3c2s1
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| InChI |
InChI=1S/C20H16F3N5O3S/c1-19(2,27-10-5-3-4-9(6-10)16(29)30)17(31)26-18-25-14-12(20(21,22)23)7-13-11(8-24-28-13)15(14)32-18/h3-8,27H,1-2H3,(H,24,28)(H,29,30)(H,25,26,31)
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| InChIKey |
XNZWKYGHHJMMSZ-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