General Information of the Compound
| Compound ID |
CP0394317
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| Compound Name |
1-(2-(6-(2-Acetamidobenzo[d]thiazol-4-yloxy)pyrimidin-4-yl)-5-(trifluoromethyl)phenyl)-3-tert-butylurea
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| Structure |
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| Formula |
C25H23F3N6O3S
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| Molecular Weight |
544.559
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| Canonical SMILES |
CC(=O)Nc1nc2c(Oc3cc(ncn3)-c3ccc(cc3NC(=O)NC(C)(C)C)C(F)(F)F)cccc2s1
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| InChI |
InChI=1S/C25H23F3N6O3S/c1-13(35)31-23-33-21-18(6-5-7-19(21)38-23)37-20-11-16(29-12-30-20)15-9-8-14(25(26,27)28)10-17(15)32-22(36)34-24(2,3)4/h5-12H,1-4H3,(H,31,33,35)(H2,32,34,36)
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| InChIKey |
DFWCPUUEAHOEHM-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