General Information of the Compound
| Compound ID |
CP0061797
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| Compound Name |
Benzo[d]imidazo[2,1-b]thiazole-2-carboxylic acid {4-[3-(5-tert-butyl-isoxazol-3-yl)-ureido]-phenyl}-amide
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| Structure |
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| Formula |
C24H22N6O3S
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| Molecular Weight |
474.546
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| Canonical SMILES |
CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3cn4c(n3)sc3ccccc43)cc2)no1
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| InChI |
InChI=1S/C24H22N6O3S/c1-24(2,3)19-12-20(29-33-19)28-22(32)26-15-10-8-14(9-11-15)25-21(31)16-13-30-17-6-4-5-7-18(17)34-23(30)27-16/h4-13H,1-3H3,(H,25,31)(H2,26,28,29,32)
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| InChIKey |
OEUMLQMTMOCCGW-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