General Information of the Compound
| Compound ID |
CP0963543
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| Compound Name |
6-(4-((2-(1,4-dioxaspiro-[4.5]dec-7-en-8-yl)thiazol-4-yl)methoxy)-6-methoxybenzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
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| Structure |
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| Formula |
C26H26N4O6S2
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| Molecular Weight |
554.65
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| Canonical SMILES |
COc1cc(OCc2csc(C3CCC4(CC3)OCCO4)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
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| InChI |
InChI=1S/C26H26N4O6S2/c1-31-17-9-20(18-11-22(36-21(18)10-17)19-12-30-24(28-19)38-25(29-30)32-2)33-13-16-14-37-23(27-16)15-3-5-26(6-4-15)34-7-8-35-26/h9-12,14-15H,3-8,13H2,1-2H3
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| InChIKey |
BVSHKWZTWWCILM-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