General Information of the Compound
| Compound ID |
CP0543561
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| Compound Name |
2-imidazo[4,5-b]pyridin-3-yl-1-[(2R)-2-methyl-4-[4-(2-methylpyrimidin-5-yl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]piperazin-1-yl]ethanone
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| Structure |
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| Formula |
C22H21F3N8OS
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| Molecular Weight |
502.526
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| Canonical SMILES |
C[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1sc(nc1-c1cnc(C)nc1)C(F)(F)F
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| InChI |
InChI=1S/C22H21F3N8OS/c1-13-10-31(6-7-33(13)17(34)11-32-12-29-16-4-3-5-26-19(16)32)20-18(15-8-27-14(2)28-9-15)30-21(35-20)22(23,24)25/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3/t13-/m1/s1
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| InChIKey |
VLHHCRXKWPFNLU-CYBMUJFWSA-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