General Information of the Compound
| Compound ID |
CP0522988
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| Compound Name |
2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]-N-[3-[4-(trifluoromethyl)anilino]-[1,2]thiazolo[4,5-b]pyridin-7-yl]benzamide
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| Structure |
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| Formula |
C26H23ClF3N5O2S
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| Molecular Weight |
562.017
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| Canonical SMILES |
CC(C)(C)C(=O)NCc1ccc(Cl)c(c1)C(=O)Nc1ccnc2c(Nc3ccc(cc3)C(F)(F)F)nsc12
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| InChI |
InChI=1S/C26H23ClF3N5O2S/c1-25(2,3)24(37)32-13-14-4-9-18(27)17(12-14)23(36)34-19-10-11-31-20-21(19)38-35-22(20)33-16-7-5-15(6-8-16)26(28,29)30/h4-12H,13H2,1-3H3,(H,32,37)(H,33,35)(H,31,34,36)
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| InChIKey |
DCHOUMQCXXCUJQ-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