General Information of the Compound
| Compound ID |
CP0580233
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| Compound Name |
4-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]morpholin-3-one
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| Structure |
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| Formula |
C22H19N5O6S2
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| Molecular Weight |
513.557
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)N3CCOCC3=O)cc(OC)cc2o1
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| InChI |
InChI=1S/C22H19N5O6S2/c1-29-13-5-16(32-9-12-11-34-20(23-12)26-3-4-31-10-19(26)28)14-7-18(33-17(14)6-13)15-8-27-21(24-15)35-22(25-27)30-2/h5-8,11H,3-4,9-10H2,1-2H3
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| InChIKey |
UUMSOAPDYDVSCJ-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