General Information of the Compound
| Compound ID |
CP0473640
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| Compound Name |
3-(2-{4-[3-(5-tert-Butyl-isoxazol-3-yl)ureido]phenyl}imidazo[2,1-b][1,3]benzothiazol-7-yl)propanoate
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| Structure |
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| Formula |
C26H25N5O4S
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| Molecular Weight |
503.584
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| Canonical SMILES |
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(CCC(O)=O)ccc32)no1
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| InChI |
InChI=1S/C26H25N5O4S/c1-26(2,3)21-13-22(30-35-21)29-24(34)27-17-8-6-16(7-9-17)18-14-31-19-10-4-15(5-11-23(32)33)12-20(19)36-25(31)28-18/h4,6-10,12-14H,5,11H2,1-3H3,(H,32,33)(H2,27,29,30,34)
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| InChIKey |
VSGYDCXNJDAQFA-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