General Information of the Compound
| Compound ID |
CP0544442
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| Compound Name |
4-(6-(((6-Methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)benzofuran-4-yl)oxy)methyl)pyridin-2-yl)-N,N-dimethylbenzamide
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| Structure |
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| Formula |
C29H25N5O5S
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| Molecular Weight |
555.616
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(n3)-c3ccc(cc3)C(=O)N(C)C)cc(OC)cc2o1
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| InChI |
InChI=1S/C29H25N5O5S/c1-33(2)27(35)18-10-8-17(9-11-18)22-7-5-6-19(30-22)16-38-24-12-20(36-3)13-25-21(24)14-26(39-25)23-15-34-28(31-23)40-29(32-34)37-4/h5-15H,16H2,1-4H3
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| InChIKey |
ULAVANHVRNZHHE-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