General Information of the Compound
| Compound ID |
CP0398935
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| Compound Name |
N-[2-[6-[(2-acetamido-1,3-benzothiazol-4-yl)oxy]pyrimidin-4-yl]-5-(trifluoromethyl)phenyl]-5,5-dimethylpyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C27H25F3N6O3S
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| Molecular Weight |
570.597
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| Canonical SMILES |
CC(=O)Nc1nc2c(Oc3cc(ncn3)-c3ccc(cc3NC(=O)C3CCC(C)(C)N3)C(F)(F)F)cccc2s1
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| InChI |
InChI=1S/C27H25F3N6O3S/c1-14(37)33-25-35-23-20(5-4-6-21(23)40-25)39-22-12-18(31-13-32-22)16-8-7-15(27(28,29)30)11-19(16)34-24(38)17-9-10-26(2,3)36-17/h4-8,11-13,17,36H,9-10H2,1-3H3,(H,34,38)(H,33,35,37)
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| InChIKey |
UHELRRXJDGVWLF-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