General Information of the Compound
| Compound ID |
CP0950957
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| Compound Name |
N-(cyanomethyl)-N-ethyl-4-(4-((6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)benzofuran-4-yloxy)methyl)thiazol-2-yl)benzamide
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| Structure |
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| Formula |
C29H24N6O5S2
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| Molecular Weight |
600.682
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| Canonical SMILES |
CCN(CC#N)C(=O)c1ccc(-c2nc(COc3cc(OC)cc4oc(-c5cn6nc(OC)sc6n5)cc34)cs2)cc1
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| InChI |
InChI=1S/C29H24N6O5S2/c1-4-34(10-9-30)27(36)18-7-5-17(6-8-18)26-31-19(16-41-26)15-39-23-11-20(37-2)12-24-21(23)13-25(40-24)22-14-35-28(32-22)42-29(33-35)38-3/h5-8,11-14,16H,4,10,15H2,1-3H3
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| InChIKey |
PKJHOJZBPCAYMD-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