General Information of the Compound
| Compound ID |
CP0254460
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| Compound Name |
(R)-3-(1-(2-chlorophenyl)ethoxy)-5-(6-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl)thiophene-2-carboxamide
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| Structure |
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| Formula |
C21H18ClN3O3S
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| Molecular Weight |
427.913
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| Canonical SMILES |
C[C@@H](Oc1cc(sc1C(N)=O)-c1cnc2ccc(CO)cn12)c1ccccc1Cl
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| InChI |
InChI=1S/C21H18ClN3O3S/c1-12(14-4-2-3-5-15(14)22)28-17-8-18(29-20(17)21(23)27)16-9-24-19-7-6-13(11-26)10-25(16)19/h2-10,12,26H,11H2,1H3,(H2,23,27)/t12-/m1/s1
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| InChIKey |
BMJXYGYKLFZMCK-GFCCVEGCSA-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