General Information of the Compound
| Compound ID |
CP0403466
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| Compound Name |
2-(1,1-Difluoroethyl)-6-(6-methoxy-4-((3-(pyrimidin-5-yl)benzyl)oxy)benzofuran-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
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| Structure |
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| Formula |
C26H19F2N5O3S
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| Molecular Weight |
519.533
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| Canonical SMILES |
COc1cc(OCc2cccc(c2)-c2cncnc2)c2cc(oc2c1)-c1cn2nc(sc2n1)C(C)(F)F
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| InChI |
InChI=1S/C26H19F2N5O3S/c1-26(27,28)24-32-33-12-20(31-25(33)37-24)23-9-19-21(7-18(34-2)8-22(19)36-23)35-13-15-4-3-5-16(6-15)17-10-29-14-30-11-17/h3-12,14H,13H2,1-2H3
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| InChIKey |
OCSOUVPYGDAZOO-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