General Information of the Compound
| Compound ID |
CP0530116
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| Compound Name |
2-methoxy-6-[6-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
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| Structure |
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| Formula |
C22H16F3N3O4S
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| Molecular Weight |
475.448
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3ccc(cc3)C(F)(F)F)cc(OC)cc2o1
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| InChI |
InChI=1S/C22H16F3N3O4S/c1-29-14-7-17(31-11-12-3-5-13(6-4-12)22(23,24)25)15-9-19(32-18(15)8-14)16-10-28-20(26-16)33-21(27-28)30-2/h3-10H,11H2,1-2H3
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| InChIKey |
YFVRQNHFSHUUAP-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