General Information of the Compound
| Compound ID |
CP0423678
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| Compound Name |
3-[2,4-bis(trifluoromethyl)phenyl]-5-methyl-7-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-2-one
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| Structure |
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| Formula |
C21H12F6N6OS
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| Molecular Weight |
510.423
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| Canonical SMILES |
Cc1cc(-n2ccc(n2)-c2nccs2)c2[nH]c(=O)n(-c3ccc(cc3C(F)(F)F)C(F)(F)F)c2n1
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| InChI |
InChI=1S/C21H12F6N6OS/c1-10-8-15(32-6-4-13(31-32)18-28-5-7-35-18)16-17(29-10)33(19(34)30-16)14-3-2-11(20(22,23)24)9-12(14)21(25,26)27/h2-9H,1H3,(H,30,34)
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| InChIKey |
KCFNBFVUHNJASQ-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