General Information of the Compound
| Compound ID |
CP0510461
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| Compound Name |
1-(5-tert-Butyl-isoxazol-3-yl)-3-{4-[7-(4-ethyl-piperazine-1-carbonyl)-benzo[d]imidazo[2,1-b]thiazol-2-yl]-phenyl}-urea
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| Structure |
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| Formula |
C30H33N7O3S
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| Molecular Weight |
571.707
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| Canonical SMILES |
CCN1CCN(CC1)C(=O)c1ccc2c(c1)sc1nc(cn21)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
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| InChI |
InChI=1S/C30H33N7O3S/c1-5-35-12-14-36(15-13-35)27(38)20-8-11-23-24(16-20)41-29-32-22(18-37(23)29)19-6-9-21(10-7-19)31-28(39)33-26-17-25(40-34-26)30(2,3)4/h6-11,16-18H,5,12-15H2,1-4H3,(H2,31,33,34,39)
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| InChIKey |
DBKDTFRIQHKADF-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