General Information of the Compound
| Compound ID |
CP0503077
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| Compound Name |
2-[1-[3-[2,4-bis(trifluoromethyl)phenyl]-5-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridin-7-yl]pyrazol-3-yl]-1,3-thiazole
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| Structure |
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| Formula |
C22H11F9N6S
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| Molecular Weight |
562.421
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| Canonical SMILES |
Cc1cc(-n2ccc(n2)-c2nccs2)c2nc(n(-c3ccc(cc3C(F)(F)F)C(F)(F)F)c2n1)C(F)(F)F
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| InChI |
InChI=1S/C22H11F9N6S/c1-10-8-15(36-6-4-13(35-36)18-32-5-7-38-18)16-17(33-10)37(19(34-16)22(29,30)31)14-3-2-11(20(23,24)25)9-12(14)21(26,27)28/h2-9H,1H3
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| InChIKey |
ZZMMAXVKOMGZPB-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