General Information of the Compound
| Compound ID |
CP0469512
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| Compound Name |
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[6-(2-piperidin-1-ylethoxy)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl]urea
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| Structure |
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| Formula |
C30H34N6O3S
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| Molecular Weight |
558.708
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| Canonical SMILES |
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCCCC4)ccc32)no1
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| InChI |
InChI=1S/C30H34N6O3S/c1-30(2,3)26-18-27(34-39-26)33-28(37)31-21-9-7-20(8-10-21)23-19-36-24-12-11-22(17-25(24)40-29(36)32-23)38-16-15-35-13-5-4-6-14-35/h7-12,17-19H,4-6,13-16H2,1-3H3,(H2,31,33,34,37)
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| InChIKey |
HRTFJSPOQWWRIM-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