General Information of the Compound
| Compound ID |
CP0502955
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| Compound Name |
2-{4-[3-(5-tert-Butyl-isoxazol-3-yl)ureido]phenyl}imidazo[2,1-b][1,3]benzothiazole-7-carboxylate
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| Structure |
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| Formula |
C24H21N5O4S
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| Molecular Weight |
475.53
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| Canonical SMILES |
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(ccc32)C(O)=O)no1
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| InChI |
InChI=1S/C24H21N5O4S/c1-24(2,3)19-11-20(28-33-19)27-22(32)25-15-7-4-13(5-8-15)16-12-29-17-9-6-14(21(30)31)10-18(17)34-23(29)26-16/h4-12H,1-3H3,(H,30,31)(H2,25,27,28,32)
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| InChIKey |
WCKIQBNFMHWBGG-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