General Information of the Compound
| Compound ID |
CP0503078
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| Compound Name |
2-[1-[3-[2,4-bis(trifluoromethyl)phenyl]-2,5-dimethylimidazo[4,5-b]pyridin-7-yl]pyrazol-3-yl]-1,3-thiazole
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| Structure |
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| Formula |
C22H14F6N6S
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| Molecular Weight |
508.451
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| Canonical SMILES |
Cc1nc2c(cc(C)nc2n1-c1ccc(cc1C(F)(F)F)C(F)(F)F)-n1ccc(n1)-c1nccs1
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| InChI |
InChI=1S/C22H14F6N6S/c1-11-9-17(33-7-5-15(32-33)20-29-6-8-35-20)18-19(30-11)34(12(2)31-18)16-4-3-13(21(23,24)25)10-14(16)22(26,27)28/h3-10H,1-2H3
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| InChIKey |
QLXMTUJHGFGUPO-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