General Information of the Compound
Compound ID |
CP0486089
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Compound Name |
7-[3-chloro-4-(oxan-4-ylamino)phenyl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile
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Structure |
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Formula |
C21H18ClF3N4O
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Molecular Weight |
434.849
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Canonical SMILES |
FC(F)(F)Cc1cnc2c(C#N)c(ccn12)-c1ccc(NC2CCOCC2)c(Cl)c1
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InChI |
InChI=1S/C21H18ClF3N4O/c22-18-9-13(1-2-19(18)28-14-4-7-30-8-5-14)16-3-6-29-15(10-21(23,24)25)12-27-20(29)17(16)11-26/h1-3,6,9,12,14,28H,4-5,7-8,10H2
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InChIKey |
BBNKDZBMZPPMNB-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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