General Information of the Compound
| Compound ID |
CP0543586
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| Compound Name |
2-imidazo[4,5-b]pyridin-3-yl-1-[(2R)-4-[4-(6-methoxypyridin-3-yl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]-2-methylpiperazin-1-yl]ethanone
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| Structure |
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| Formula |
C23H22F3N7O2S
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| Molecular Weight |
517.537
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| Canonical SMILES |
COc1ccc(cn1)-c1nc(sc1N1CCN([C@H](C)C1)C(=O)Cn1cnc2cccnc12)C(F)(F)F
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| InChI |
InChI=1S/C23H22F3N7O2S/c1-14-11-31(8-9-33(14)18(34)12-32-13-29-16-4-3-7-27-20(16)32)21-19(30-22(36-21)23(24,25)26)15-5-6-17(35-2)28-10-15/h3-7,10,13-14H,8-9,11-12H2,1-2H3/t14-/m1/s1
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| InChIKey |
JACUNCNAGINCQW-CQSZACIVSA-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
Protein ID: PT03433, C-X-C chemokine receptor type 3
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2