General Information of the Compound
| Compound ID |
CP0473637
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| Compound Name |
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[8-(2-morpholin-4-ylethoxy)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl]urea
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| Structure |
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| Formula |
C29H32N6O4S
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| Molecular Weight |
560.68
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| Canonical SMILES |
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cccc(OCCN4CCOCC4)c32)no1
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| InChI |
InChI=1S/C29H32N6O4S/c1-29(2,3)24-17-25(33-39-24)32-27(36)30-20-9-7-19(8-10-20)21-18-35-26-22(5-4-6-23(26)40-28(35)31-21)38-16-13-34-11-14-37-15-12-34/h4-10,17-18H,11-16H2,1-3H3,(H2,30,32,33,36)
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| InChIKey |
YMPLGYCVVGOFAQ-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